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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-2019I7-ionpair-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-434.565963574; Eh
thumbnail.jpeg5-Feb-2019I1-ionpair-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-1086.73697061; Eh
thumbnail.jpeg5-Feb-2019TS-I5-I6-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1026.19344910; Eh
thumbnail.jpeg5-Feb-2019TS-I4-I5-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1026.18494483; Eh
thumbnail.jpeg5-Feb-2019TS-I4-I6-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1026.12368278; Eh
thumbnail.jpeg5-Feb-2019TS-I8-I7-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-789.394624662; Eh
thumbnail.jpeg5-Feb-2019TS-I3-I8-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-789.389362123; Eh
thumbnail.jpeg5-Feb-2019I1-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-822.226609320; Eh
thumbnail.jpeg2-May-2019H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--76.375859; Eh
thumbnail.jpeg2-May-2019acid_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM06--420.5522016; Eh
Results 291-300 of 300 (Search time: 0.001 seconds).