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Fix missing code
This commit is contained in:
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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@ -1,6 +1,6 @@
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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@ -1,6 +1,6 @@
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSD,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D∞),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetaldehyde
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# Comment :
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# code :
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# code : MRCC
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# method : STEOM,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDTQ,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CCSD,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D∞),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Acetylene
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# Comment :
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# code :
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# code : MRCC
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# method : STEOM,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CCSD,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D∞),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Ammonia
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# Comment :
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# code :
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# code : MRCC
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# method : STEOM,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : Dalton
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# method : CC3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDTQ,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CCSD,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D∞),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Carbon monoxyde
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# Comment :
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# code :
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# code : MRCC
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# method : STEOM,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CCSD,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : CIS(D∞),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Cyclopropene
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# Comment :
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# code :
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# code : MRCC
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# method : STEOM,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(2),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
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# Comment :
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# code :
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# code : MRCC
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# method : ADC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
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# Comment :
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# code :
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# code : MRCC
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# method : CC(3),aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
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# Comment :
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# code :
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# code : MRCC
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# method : CC2,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
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# Comment :
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# code :
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# code : MRCC
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# method : CCSDT-3,aug-cc-pVTZ
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# geom : CC3,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406,true
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# Molecule : Diazomethane
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSD,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Diazomethane
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Diazomethane
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D∞),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Diazomethane
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : STEOM,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(2),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC2,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDT-3,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSD,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D∞),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Dinitrogen
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : STEOM,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(2),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC2,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDT-3,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDTQ,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSD,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D∞),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Ethylene
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : STEOM,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(2),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC2,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDT-3,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDTQ,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSD,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D∞),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formaldehyde
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : STEOM,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(2),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC2,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSDT-3,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CCSD,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CIS(D∞),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Formamide
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : STEOM,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Hydrogen chloride
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(2),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Hydrogen chloride
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : ADC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Hydrogen chloride
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC(3),aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
@ -1,6 +1,6 @@
|
||||
# Molecule : Hydrogen chloride
|
||||
# Comment :
|
||||
# code :
|
||||
# code : MRCC
|
||||
# method : CC2,aug-cc-pVTZ
|
||||
# geom : CC3,aug-cc-pVTZ
|
||||
# DOI : 10.1021/acs.jctc.8b00406,true
|
||||
|
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Reference in New Issue
Block a user