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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Gold IInt1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.96869443; 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 AInt1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92350173; Eh
thumbnail.jpeg31-Aug-2016t12Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68570219; Eh
thumbnail.jpeg26-Sep-2016/Gold Adduct_A_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.93004539; 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 ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92095773; 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
thumbnail.jpeg26-Sep-2016/Gold TS_rotationABBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92433668; Eh
Results 51-60 of 340 (Search time: 0.003 seconds).