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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-2019I2-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-1053.87961802; Eh
thumbnail.jpeg5-Feb-2019I1-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-811.011314609; Eh
thumbnail.jpeg5-Feb-2019I3-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-484.916873065; 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-2019I5-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-964.574648983; Eh
thumbnail.jpeg5-Feb-2019I4-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-721.704192298; Eh
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