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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2_l/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4942457; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1501.84763915; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1501.9059335; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.43456982; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4938476; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1490.36750013; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1501.81137603; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1501.8821659; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.479986; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--310.983018140; Eh
Results 21-30 of 68 (Search time: 0.0 seconds).