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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Gold TS_rotationBCBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.91346922; Eh
thumbnail.jpeg26-Sep-2016/Copper ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.82813567; 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/Copper AInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.86195827; Eh
thumbnail.jpeg26-Sep-2016/Silver Adduct_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.21136682; Eh
thumbnail.jpeg26-Sep-2016/Silver Adduct_BBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.21061978; Eh
thumbnail.jpeg26-Sep-2016/Silver metallocarbeneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1572.09092678; Eh
thumbnail.jpeg26-Sep-2016/Gold TS_rotationACBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92139701; 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 ATS1_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.21101670; Eh
Results 21-30 of 4310 (Search time: 0.002 seconds).