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benzene
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6-31g furan
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2021-01-02 15:30:56 +01:00 |
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cyclopentadiene
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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Data
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Added GAMESS files
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2021-07-26 17:07:27 +02:00 |
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data_AS
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benzene+pyridine NO OK
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2021-07-29 19:22:54 +02:00 |
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furan
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6-31g furan
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2021-01-02 15:30:56 +01:00 |
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geometries
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Added geometries
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2021-06-21 14:02:06 +02:00 |
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imidazole
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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Manuscript
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correction Mika
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2021-07-30 11:36:20 +02:00 |
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mos
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Added optimized MOs
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2021-06-21 14:43:56 +02:00 |
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output
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Added GAMESS files
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2021-07-26 17:07:27 +02:00 |
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pyrazine/cc-pvdz
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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pyridazine/cc-pvdz
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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pyridine/cc-pvdz
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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pyrimidine/cc-pvdz
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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pyrrole/cc-pvdz
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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tetrazine/cc-pvdz
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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thiophene/cc-pvdz
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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triazine/cc-pvdz
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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Ec.nb
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last data benzene et other
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2021-07-29 22:00:05 +02:00 |
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README.md
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first commit
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2020-10-26 21:56:59 +01:00 |
