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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2019I1-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-822.226609320; Eh
thumbnail.jpeg5-Feb-2019I5-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-975.785250438; Eh
thumbnail.jpeg5-Feb-2019I2-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-1065.07870124; Eh
thumbnail.jpeg5-Feb-2019I4-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-732.934204157; Eh
thumbnail.jpeg5-Feb-2019I6-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-406.853467655; Eh
thumbnail.jpeg5-Feb-2019I3-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-496.146618338; Eh
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