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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Epoxyhexane/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--310.9868374; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--11.5129401; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/CO2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--188.5726473; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--188.570158153; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--11.4192618474; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.41348352; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.40908375; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.42452263; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS_isom/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.474025; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4719557; Eh
Results 31-40 of 68 (Search time: 0.001 seconds).