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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.52122713; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.51939468; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.50361890; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Reactants/Cat CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1179.36751585; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.50463167; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Int_1 Int_1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1501.93141917; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1679.01434884; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1490.41004360; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--310.992191173; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--499.599892121; Eh
Results 1-10 of 68 (Search time: 0.001 seconds).