| .. |
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acetaldehyde_ADC(2)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_ADC(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC2_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CCSDT_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CCSDT_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CIS(D)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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acetaldehyde_exFCI_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_exFCI_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_exp.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_TBE_CBS.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_TBE(FC)_aug-cc-pVTZ .dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetaldehyde_TBE(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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acetone_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC2_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CC3_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CC3(FC)_6-31+G(d).dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC3(FC)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC3(FC)_aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC3(FC)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CC3(Full)_aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CCSDR(3)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CCSDT-3_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_CCSDTQ_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_CIS(D)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_exp.dat
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Add acetone exp missing file
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2020-02-17 11:35:26 +01:00 |
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acetone_FCI_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_NEVPT2_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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acetone_STEOM-CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_TBE_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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acetone_TBE_CBS.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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acetone_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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acetylene_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_aug-cc-pVTZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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acetylene_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_CCSDTQ_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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acetylene_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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acetylene_exFCI_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_exFCI_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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acetylene_exp.dat
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames for STEOM-CCSD
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2020-02-03 17:44:40 +01:00 |
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acetylene_TBE_CBS.dat
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Fix CBS filenames
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2020-02-03 17:41:37 +01:00 |
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acetylene_TBE(FC)_aug-cc-pVTZ.dat
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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acrolein_ADC(2)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3(FC)_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CC3(Full)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSDR(3)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSDT_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CCSDT-3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_CIS(D)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_exp.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_FCI_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_NEVPT2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_TBE_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_TBE_CBS.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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acrolein_TBE(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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ammonia_ADC(2)_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_ADC(3)_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC2_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ammonia_CC3_aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_aug-cc-pVDZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_d-aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(FC)_t-aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(Full)_aug-cc-pV5Z.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(Full)_aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(Full)_d-aug-cc-pV5Z.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(Full)_d-aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CC3(Full)_t-aug-cc-pVQZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSD_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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ammonia_CCSDT_aug-cc-pVDZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSDT_aug-cc-pVQZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ammonia_CCSDT_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSDT-3_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSDTQ_aug-cc-pVDZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CCSDTQ_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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ammonia_CCSDTQP_aug-cc-pVDZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CIS(D)_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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ammonia_exFCI_aug-cc-pVDZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_exFCI_aug-cc-pVQZ.dat
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Fix transition for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_exFCI_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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ammonia_exp.dat
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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ammonia_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames for STEOM-CCSD
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2020-02-03 17:44:40 +01:00 |
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ammonia_TBE_CBS.dat
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Fix CBS filenames
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2020-02-03 17:41:37 +01:00 |
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ammonia_TBE(FC)_aug-cc-pVTZ.dat
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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benzene_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CC2_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CC3_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CC3(FC)_6-31+G(d).dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CC3(FC)_aug-cc-pVDZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CC3(FC)_aug-cc-pVQZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CC3(FC)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CCSDR(3)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_CCSDT-3_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_CIS(D)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_exp.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_NEVPT2_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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benzene_STEOM-CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_TBE_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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benzene_TBE_CBS.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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benzene_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
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butadiene_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
|
butadiene_CC2_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CC3_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CC3_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CC3(FC)_6-31+G(d).dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3(FC)_aug-cc-pVDZ.dat
|
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2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3(FC)_aug-cc-pVQZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3(FC)_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3(FC)_d-aug-cc-pVQZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CC3(Full)_aug-cc-pVQZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CCSD_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CCSDR(3)_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
butadiene_CCSDT_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CCSDT_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CCSDT_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CCSDT-3_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
|
butadiene_CCSDTQ_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
butadiene_CIS(D)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
butadiene_exp.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_FCI_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
butadiene_NEVPT2_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
butadiene_STEOM-CCSD_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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butadiene_TBE_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
butadiene_TBE_CBS.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
butadiene_TBE(FC)_aug-cc-pVTZ.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CC2_aug-cc-pVTZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CC3_aug-cc-pVDZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CC3_aug-cc-pVQZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CC3_aug-cc-pVTZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat
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Fix excitations for carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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carbon_monoxide_CCSD_aug-cc-pVTZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVDZ.dat
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVQZ.dat
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Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
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carbon_monoxide_exFCI_aug-cc-pVTZ.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
|
carbon_monoxide_exp.dat
|
Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
|
carbon_monoxide_TBE_CBS.dat
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Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
|
carbon_monoxide_TBE(FC)_aug-cc-pVTZ.dat
|
Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
|
cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CASPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CASPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pV5Z.dat
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVQZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CC3_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_CCSDT_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
|
cyanoacetylene_CCSDTQ_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat
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|
2020-02-17 11:34:21 +01:00 |
|
cyanoacetylene_exp.dat
|
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|
2020-02-17 11:34:19 +01:00 |
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cyanoacetylene_FCI_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_FCI_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_PC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_PC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_SC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_SC-NEVPT2(8,8)_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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|
2020-02-17 11:34:21 +01:00 |
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cyanoacetylene_TBE_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
cyanoacetylene_TBE_CBS.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
cyanoformaldehyde_ADC(2)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC2_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_CC3_6-31+G(d).dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3_aug-cc-pVDZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_CC3(FC)_6-31+G(d).dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CCSD_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CCSDT_6-31+G(d).dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_CIS(D)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_exp.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_FCI_6-31+G(d).dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_NEVPT2_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanoformaldehyde_TBE_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_TBE_CBS.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
cyanoformaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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cyanogen_ADC(2)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_6-31+G(d).dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_aug-cc-pVDZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CASPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC2_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pV5Z.dat
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|
2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVDZ.dat
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|
2020-02-17 11:34:19 +01:00 |
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cyanogen_CC3_aug-cc-pVQZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_CC3_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_CC3(FC)_6-31+G(d).dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(Full)_aug-cc-pVQZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSD_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
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cyanogen_CCSDT_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVDZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
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cyanogen_CCSDT_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_CCSDT-3_aug-cc-pVTZ.dat
|
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2020-02-17 11:34:21 +01:00 |
|
cyanogen_CCSDTQ_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_CCSDTQ_aug-cc-pVDZ.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_CIS(D)_aug-cc-pVTZ.dat
|
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|
2020-02-17 11:34:21 +01:00 |
|
cyanogen_exp.dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_FCI_6-31+G(d).dat
|
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|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_FCI_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
cyanogen_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_PC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_SC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyanogen_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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cyanogen_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_exp.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopentadiene_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopentadiene_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyclopropene_ADC(2)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_ADC(3)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC2_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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cyclopropene_CC3(FC)_aug-cc-pVDZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3(FC)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3(FC)_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CC3(Full)_aug-cc-pVQZ.dat
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CCSD_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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cyclopropene_CCSDT_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CCSDT_aug-cc-pVTZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CCSDT-3_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CIS(D)_aug-cc-pVTZ.dat
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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cyclopropene_exFCI_aug-cc-pVDZ.dat
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Add code
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2020-01-29 17:20:34 +01:00 |
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cyclopropene_exFCI_aug-cc-pVTZ.dat
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Add code
|
2020-01-29 17:20:34 +01:00 |
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cyclopropene_exp.dat
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Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
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cyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
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cyclopropene_TBE_CBS.dat
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Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
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cyclopropene_TBE(FC)_aug-cc-pVTZ.dat
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Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
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cyclopropenethione_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_CCSDTQ_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_FCI_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenethione_TBE_CBS.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyclopropenethione_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_CCSDTQ_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_exp.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_FCI_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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cyclopropenone_TBE_CBS.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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cyclopropenone_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
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diacetylene_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CASPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CASPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CC3_aug-cc-pV5Z.dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CC3_aug-cc-pVQZ.dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CC3_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CC3(FC)_6-31+G(d).dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CCSDT_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CCSDT_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CCSDT_aug-cc-pVTZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CCSDT-3_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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diacetylene_CCSDTQ_6-31+G(d).dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CCSDTQ_aug-cc-pVDZ.dat
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Add missing geometry and code
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2020-02-17 11:34:19 +01:00 |
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diacetylene_CIS(D)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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diacetylene_exp.dat
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Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
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diacetylene_FCI_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_FCI_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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diacetylene_PC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_PC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_SC-NEVPT2(8,8)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_SC-NEVPT2(8,8)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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diacetylene_TBE_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
|
diacetylene_TBE_CBS.dat
|
Fix diacetylene
|
2020-02-17 11:34:19 +01:00 |
|
diacetylene_TBE(FC)_aug-cc-pVTZ.dat
|
Fix diacetylene
|
2020-02-17 11:34:19 +01:00 |
|
diazomethane_ADC(2)_aug-cc-pVTZ.dat
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Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
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diazomethane_ADC(3)_aug-cc-pVTZ.dat
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Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
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diazomethane_CC2_aug-cc-pVTZ.dat
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Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
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diazomethane_CC3_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
diazomethane_CC3_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
diazomethane_CC3(FC)_aug-cc-pVDZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3(FC)_aug-cc-pVQZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3(FC)_aug-cc-pVTZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3(Full)_aug-cc-pVQZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CCSD_aug-cc-pVTZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
diazomethane_CCSDT_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
diazomethane_CCSDT_aug-cc-pVTZ.dat
|
Fix transition for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CIS(D)_aug-cc-pVTZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
diazomethane_exFCI_aug-cc-pVDZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_exFCI_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
diazomethane_exp.dat
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
diazomethane_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
diazomethane_TBE(FC)_aug-cc-pVTZ.dat
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_ADC(2)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_ADC(3)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC2_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVQZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(FC)_aug-cc-pVDZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(FC)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(FC)_aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSD_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_CIS(D)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
dinitrogen_exp.dat
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
dinitrogen_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
dinitrogen_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_ADC(2)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_ADC(3)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC2_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(FC)_aug-cc-pVDZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(FC)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(FC)_aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(Full)_aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(Full)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(Full)_d-aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3(Full)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSD_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
ethylene_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDTQ_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
ethylene_CCSDTQ_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CIS(D)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
ethylene_exFCI_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
ethylene_exFCI_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
ethylene_exp.dat
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
ethylene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
ethylene_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
ethylene_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_ADC(2)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_ADC(3)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC2_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3_aug-cc-pVDZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSD_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CIS(D)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix state number
|
2020-02-17 12:42:25 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVDZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_exp.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_TBE_CBS.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
formamide_ADC(2)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_ADC(3)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC2_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3(FC)_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3(FC)_aug-cc-pVQZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3(FC)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CC3(Full)_aug-cc-pVQZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CCSD_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CCSDR(3)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CCSDT_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CCSDT_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CCSDT-3_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CIS(D)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
formamide_exFCI_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_exFCI_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_exp.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_TBE_CBS.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
formamide_TBE(FC)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
furan_ADC(2)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC2_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC3_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CC3_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CC3_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CC3(FC)_6-31+G(d).dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC3(FC)_aug-cc-pVDZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC3(FC)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC3(FC)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CC3(Full)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CCSDR(3)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CCSDT_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CCSDT_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CCSDT_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_CCSDT-3_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_CIS(D)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_exp.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_NEVPT2_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
furan_STEOM-CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_TBE_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
furan_TBE_CBS.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
furan_TBE(FC)_aug-cc-pVTZ.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_ADC(2)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC2_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CC3_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CC3_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CC3(FC)_6-31+G(d).dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(FC)_aug-cc-pV5Z.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(FC)_aug-cc-pVDZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(FC)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(FC)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CC3(Full)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CCSDR(3)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CCSDT_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CCSDT_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CCSDT_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CCSDT-3_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_CCSDTQ_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_CIS(D)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_exp.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_FCI_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_NEVPT2_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_STEOM-CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_TBE_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
glyoxal_TBE_CBS.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
glyoxal_TBE(FC)_aug-cc-pVTZ.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC2_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
hydrogen_chloride_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
hydrogen_chloride_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_ADC(2)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_ADC(3)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC2_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(Full)_aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(Full)_aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(Full)_d-aug-cc-pV5Z.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(Full)_d-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3(Full)_t-aug-cc-pVQZ.dat
|
Add code for new CC3 files
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSD_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT-3_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_CIS(D)_aug-cc-pVTZ.dat
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exp.dat
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
hydrogen_sulfide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
hydrogen_sulfide_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
hydrogen_sulfide_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
imidazole_ADC(2)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC2_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3_6-31+G(d).dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3_aug-cc-pVDZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3(FC)_6-31+G(d).dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3(FC)_aug-cc-pVDZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3(FC)_aug-cc-pVQZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CC3(FC)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CCSD_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CCSDT_6-31+G(d).dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CCSDT_aug-cc-pVDZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CCSDT-3_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_CIS(D)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_exp.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_NEVPT2_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_TBE_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_TBE_CBS.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
imidazole_TBE(FC)_aug-cc-pVTZ.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
isobutene_ADC(2)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC2_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC3_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CC3_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CC3_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CC3(FC)_6-31+G(d).dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC3(FC)_aug-cc-pVDZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC3(FC)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC3(FC)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CC3(Full)_aug-cc-pVQZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CCSDR(3)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CCSDT_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CCSDT_aug-cc-pVDZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CCSDT_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_CCSDT-3_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_CIS(D)_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_exp.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_FCI_6-31+G(d).dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_NEVPT2_aug-cc-pVTZ.dat
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_TBE_aug-cc-pVTZ.dat
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
isobutene_TBE_CBS.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
isobutene_TBE(FC)_aug-cc-pVTZ.dat
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
ketene_ADC(2)_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_ADC(3)_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC2_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3_aug-cc-pVDZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3(FC)_aug-cc-pVDZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3(FC)_aug-cc-pVQZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3(FC)_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CCSD_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
ketene_CCSDT_aug-cc-pVDZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CCSDT_aug-cc-pVTZ.dat
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
ketene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CIS(D)_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
ketene_exFCI_aug-cc-pVDZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_exFCI_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
ketene_exp.dat
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
ketene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
ketene_TBE_CBS.dat
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
ketene_TBE(FC)_aug-cc-pVTZ.dat
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_ADC(2)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
methanimine_ADC(3)_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
methanimine_CC2_aug-cc-pVTZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
methanimine_CC3_aug-cc-pVDZ.dat
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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methanimine_CC3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(FC)_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(FC)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(FC)_d-aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(Full)_aug-cc-pV5Z.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(Full)_aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CC3(Full)_d-aug-cc-pVQZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDR(3)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDT_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDT_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDT-3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDTQ_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CCSDTQ_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CIS(D)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_CIS(D∞)_aug-cc-pVTZ.dat
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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methanimine_exFCI_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_exFCI_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_STEOM-CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_TBE_CBS.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methanimine_TBE(FC)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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methylenecyclopropene_ADC(2)_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(FC)_aug-cc-pV5Z.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_CCSDTQ_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_exp.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_FCI_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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methylenecyclopropene_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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methylenecyclopropene_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC2_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CCSD_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat
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Fix bug in nitrosomethane
|
2020-02-27 10:28:08 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVDZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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nitrosomethane_exFCI_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
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nitrosomethane_exp.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_TBE_CBS.dat
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat
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Fix doublon
|
2020-02-27 12:43:18 +01:00 |
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propynal_ADC(2)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC2_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3_6-31+G(d).dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3_aug-cc-pVDZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3(FC)_6-31+G(d).dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CC3(Full)_aug-cc-pVQZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CCSDR(3)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CCSDT_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CCSDT-3_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_CIS(D)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_exp.dat
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_FCI_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_NEVPT2_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_TBE_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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propynal_TBE_CBS.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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propynal_TBE(FC)_aug-cc-pVTZ.dat
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Fix \prime
|
2020-02-28 18:25:51 +01:00 |
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pyrazine_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CC3(Full)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_exp.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrazine_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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pyrazine_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CC3_6-31+G(d).dat
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pyridazine_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_CC3_aug-cc-pVTZ.dat
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pyridazine_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_exp.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridazine_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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pyridazine_TBE(FC)_aug-cc-pVTZ.dat
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|
2020-02-17 11:34:19 +01:00 |
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pyridine_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CCSDT_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_exp.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyridine_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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pyridine_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CCSDT_6-31+G(d).dat
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pyrimidine_CCSDT_aug-cc-pVDZ.dat
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pyrimidine_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_exp.dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_NEVPT2_aug-cc-pVTZ.dat
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pyrimidine_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrimidine_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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pyrimidine_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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pyrrole_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrrole_CC2_aug-cc-pVTZ.dat
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pyrrole_CC3_6-31+G(d).dat
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pyrrole_CC3_aug-cc-pVDZ.dat
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pyrrole_CC3_aug-cc-pVTZ.dat
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pyrrole_CC3(FC)_6-31+G(d).dat
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pyrrole_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrrole_CC3(FC)_aug-cc-pVQZ.dat
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pyrrole_CC3(FC)_aug-cc-pVTZ.dat
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pyrrole_CC3(Full)_aug-cc-pVQZ.dat
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pyrrole_CCSD_aug-cc-pVTZ.dat
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pyrrole_CCSDR(3)_aug-cc-pVTZ.dat
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pyrrole_CCSDT_6-31+G(d).dat
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pyrrole_CCSDT_aug-cc-pVDZ.dat
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pyrrole_CCSDT_aug-cc-pVTZ.dat
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pyrrole_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrrole_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrrole_exp.dat
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pyrrole_NEVPT2_aug-cc-pVTZ.dat
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pyrrole_STEOM-CCSD_aug-cc-pVTZ.dat
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pyrrole_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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pyrrole_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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pyrrole_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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streptocyanine-c1_ADC(2)_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_ADC(3)_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_CC2_aug-cc-pVTZ.dat
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streptocyanine-c1_CC3_aug-cc-pVDZ.dat
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2020-02-17 10:12:42 +01:00 |
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streptocyanine-c1_CC3_aug-cc-pVTZ.dat
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2020-02-26 16:23:59 +01:00 |
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streptocyanine-c1_CCSD_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 10:12:42 +01:00 |
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streptocyanine-c1_CCSDT_aug-cc-pVTZ.dat
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2020-02-26 16:23:59 +01:00 |
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streptocyanine-c1_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_CIS(D)_aug-cc-pVTZ.dat
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_CIS(D∞)_aug-cc-pVTZ.dat
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streptocyanine-c1_exFCI_aug-cc-pVDZ.dat
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streptocyanine-c1_exFCI_aug-cc-pVTZ.dat
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streptocyanine-c1_STEOM-CCSD_aug-cc-pVTZ.dat
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fix file name for streptocyanine-C1
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2020-02-28 16:04:44 +01:00 |
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streptocyanine-c1_TBE_CBS.dat
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2020-02-03 17:41:37 +01:00 |
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streptocyanine-c1_TBE(FC)_aug-cc-pVTZ.dat
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fix file name for streptocyanine-C1
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2020-02-28 16:04:44 +01:00 |
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tetrazine_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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tetrazine_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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tetrazine_CC3_6-31+G(d).dat
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tetrazine_CC3_aug-cc-pVDZ.dat
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tetrazine_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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tetrazine_CC3(FC)_6-31+G(d).dat
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tetrazine_CC3(FC)_aug-cc-pVDZ.dat
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tetrazine_CC3(FC)_aug-cc-pVQZ.dat
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tetrazine_CC3(FC)_aug-cc-pVTZ.dat
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tetrazine_CC3(Full)_aug-cc-pVQZ.dat
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tetrazine_CCSD_aug-cc-pVTZ.dat
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tetrazine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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tetrazine_CCSDT_6-31+G(d).dat
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tetrazine_CCSDT_aug-cc-pVDZ.dat
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tetrazine_CCSDT_aug-cc-pVTZ.dat
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tetrazine_CCSDT-3_aug-cc-pVTZ.dat
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tetrazine_CIS(D)_aug-cc-pVTZ.dat
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tetrazine_exp.dat
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tetrazine_NEVPT2_aug-cc-pVTZ.dat
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tetrazine_STEOM-CCSD_aug-cc-pVTZ.dat
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tetrazine_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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tetrazine_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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tetrazine_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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thioacetone_ADC(2)_aug-cc-pVTZ.dat
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thioacetone_CC2_aug-cc-pVTZ.dat
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thioacetone_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thioacetone_CC3(FC)_6-31+G(d).dat
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thioacetone_CC3(FC)_aug-cc-pVDZ.dat
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thioacetone_CC3(FC)_aug-cc-pVQZ.dat
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thioacetone_CC3(FC)_aug-cc-pVTZ.dat
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thioacetone_CC3(Full)_aug-cc-pVQZ.dat
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thioacetone_CCSD_aug-cc-pVTZ.dat
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thioacetone_CCSDR(3)_aug-cc-pVTZ.dat
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thioacetone_CCSDT-3_aug-cc-pVTZ.dat
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thioacetone_CIS(D)_aug-cc-pVTZ.dat
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thioacetone_STEOM-CCSD_aug-cc-pVTZ.dat
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thioacetone_TBE_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thioacetone_TBE_CBS.dat
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2020-02-17 11:34:19 +01:00 |
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thioacetone_TBE(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
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thioformaldehyde_CC2_aug-cc-pVTZ.dat
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thioformaldehyde_CC3_aug-cc-pVDZ.dat
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2020-02-03 13:26:26 +01:00 |
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thioformaldehyde_CC3_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSD_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-03 17:43:00 +01:00 |
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thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
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2020-02-03 13:26:26 +01:00 |
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thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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2020-02-27 12:11:00 +01:00 |
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thioformaldehyde_exFCI_aug-cc-pVDZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_exFCI_aug-cc-pVTZ.dat
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2020-01-29 17:20:34 +01:00 |
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thioformaldehyde_exp.dat
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix filenames for STEOM-CCSD
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2020-02-03 17:44:40 +01:00 |
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thioformaldehyde_TBE_CBS.dat
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Fix CBS filenames
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2020-02-03 17:41:37 +01:00 |
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thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat
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Fix doublon
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2020-02-27 15:14:42 +01:00 |
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thiophene_ADC(2)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CC2_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CC3_6-31+G(d).dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_CC3_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_CC3_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_CC3(FC)_6-31+G(d).dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CC3(FC)_aug-cc-pVDZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CC3(FC)_aug-cc-pVQZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CC3(FC)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CCSDR(3)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CCSDT_6-31+G(d).dat
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thiophene_CCSDT_aug-cc-pVDZ.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_CCSDT_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_CCSDT-3_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_CIS(D)_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_exp.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_NEVPT2_aug-cc-pVTZ.dat
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2020-02-17 11:34:19 +01:00 |
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thiophene_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-02-17 11:34:21 +01:00 |
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thiophene_TBE_aug-cc-pVTZ.dat
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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thiophene_TBE_CBS.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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thiophene_TBE(FC)_aug-cc-pVTZ.dat
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Add DOI for TBE
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2020-02-17 11:34:19 +01:00 |
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thiopropynal_ADC(2)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3(FC)_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CC3(Full)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSDR(3)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSDT_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CCSDT-3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_CIS(D)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_exp.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_FCI_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_NEVPT2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_TBE_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_TBE_CBS.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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thiopropynal_TBE(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3(FC)_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3(FC)_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3(FC)_aug-cc-pVQZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CC3(FC)_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CCSDT_6-31+G(d).dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CCSDT_aug-cc-pVDZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_CCSDT_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_exp.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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triazine_NEVPT2_aug-cc-pVTZ.dat
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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water_ADC(2)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_ADC(3)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CC2_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CC3_aug-cc-pVDZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3_aug-cc-pVQZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_CC3_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_CC3(FC)_aug-cc-pVDZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(FC)_aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(FC)_aug-cc-pVTZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(FC)_d-aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(FC)_d-aug-cc-pVTZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(FC)_t-aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(Full)_aug-cc-pV5Z.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(Full)_aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(Full)_d-aug-cc-pV5Z.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(Full)_d-aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CC3(Full)_t-aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CCSD_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CCSDR(3)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CCSDT_aug-cc-pVDZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_CCSDT_aug-cc-pVQZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CCSDT_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_CCSDT-3_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CCSDTQ_aug-cc-pVDZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CCSDTQ_aug-cc-pVTZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_CCSDTQP_aug-cc-pVDZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_CIS(D)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_CIS(D∞)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_exFCI_aug-cc-pVDZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_exFCI_aug-cc-pVQZ.dat
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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water_exFCI_aug-cc-pVTZ.dat
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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water_exp.dat
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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water_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_TBE_CBS.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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water_TBE(FC)_aug-cc-pVTZ.dat
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Fix state number
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2020-02-17 12:42:25 +01:00 |
