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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Cprime_Z_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1498894; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Dprime_syn_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1579712; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Cprime_E_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1513211; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Ddoubleprime_anti_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.150716; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Cdoubleprime_E_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1522853; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Ddoubleprime_syn_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1601433; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points Dprime_anti_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1582231; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points TS2prime_anti_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1422491; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points TS2doubleprime_anti_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.131367; Eh | |||
 | 4-Jan-2022 | /CH2OH_rotation_isomers/opt/Single_Points TS2prime_syn_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | CC-PVTZ AUG-CC-PVTZ GENECP | -3101.1397395; Eh |
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