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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Aug-2016t13Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.70999738; Eh
thumbnail.jpeg31-Aug-2016t14Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.76943090; Eh
thumbnail.jpeg26-Sep-2016/Gold AInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.95275464; Eh
thumbnail.jpeg26-Sep-2016/organic 2H2OBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-152.749167364; Eh
thumbnail.jpeg31-Aug-2016t12-13Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.67703302; Eh
thumbnail.jpeg31-Aug-2016t3-9Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.75276848; Eh
thumbnail.jpeg31-Aug-2016t4-5Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76438406; Eh
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 ATS1_BBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92057979; Eh
thumbnail.jpeg26-Sep-2016/Gold ITS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1946.72660628; Eh
Results 41-50 of 340 (Search time: 0.001 seconds).