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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Copper Adduct_BBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.82588879; Eh
thumbnail.jpeg26-Sep-2016/Gold AInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.95275464; Eh
thumbnail.jpeg26-Sep-2016/Gold ITS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1946.72660628; Eh
thumbnail.jpeg26-Sep-2016/Copper ATS1_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.82500169; Eh
thumbnail.jpeg26-Sep-2016/Silver ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.21053468; Eh
thumbnail.jpeg26-Sep-2016/Silver IInt1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.26084176; Eh
thumbnail.jpeg26-Sep-2016/Silver ITS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1957.02568954; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_BBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92057979; Eh
thumbnail.jpeg26-Sep-2016/Copper ITS1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1854.82442233; Eh
thumbnail.jpeg26-Sep-2016/Silver ITS1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.20957200; Eh
Results 21-30 of 3767 (Search time: 0.002 seconds).