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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1502.7178725; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/Epoxyhexane/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--311.1398549; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1691.3688454; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--499.799288481; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/FC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1679.8273796; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP6-311G**-1679.80447689; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1491.1613417; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/CC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--499.8093339; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311G**-1691.30004445; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS_isom/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1691.3604835; Eh
Results 31-40 of 107 (Search time: 0.002 seconds).