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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Gold Adduct_B_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92650156; 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/Gold IInt1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.96869443; Eh
thumbnail.jpeg26-Sep-2016/organic 2H2OBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-152.749167364; 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/Gold IInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.98786028; Eh
thumbnail.jpeg26-Sep-2016/Gold AInt1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92350173; Eh
thumbnail.jpeg26-Sep-2016/organic benzeneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-232.071401356; Eh
thumbnail.jpeg26-Sep-2016/Gold Adduct_C_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92618445; Eh
Results 1-10 of 58 (Search time: 0.001 seconds).