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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Copper AInt1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.85668050; Eh
thumbnail.jpeg26-Sep-2016/organic benzeneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-232.071401356; Eh
thumbnail.jpeg26-Sep-2016/Copper Adduct_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.82492014; Eh
thumbnail.jpeg26-Sep-2016/Silver metallocarbeneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1572.09092678; Eh
thumbnail.jpeg26-Sep-2016/Silver IInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.29182918; Eh
thumbnail.jpeg26-Sep-2016/Copper Adduct_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.82593612; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.91361836; Eh
thumbnail.jpeg26-Sep-2016/Gold ITS1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92520528; Eh
thumbnail.jpeg26-Sep-2016/Copper AInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.86195827; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92095773; Eh
Results 31-40 of 3767 (Search time: 0.002 seconds).