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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-2019TS-I1-I2-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1065.05063153; Eh
thumbnail.jpeg5-Feb-2019I7-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD-170.067594014; Eh
thumbnail.jpeg5-Feb-2019TS-I4-I5-AgMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1065.05063153; Eh
thumbnail.jpeg5-Feb-2019TS-I4-I5-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-964.534511936; Eh
thumbnail.jpeg5-Feb-2019TS-I1-I2-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1053.81843075; Eh
thumbnail.jpeg5-Feb-2019I-negaMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD-11.5726270541; Eh
thumbnail.jpeg5-Feb-2019TS-I3-I7-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-789.337234136; 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-2019TS-I1-I3-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1115.42236584; Eh
thumbnail.jpeg5-Feb-2019TS-I2-I3-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD; 6-31+G(d,p)-1115.48294900; Eh
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