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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Aug-2016t12-13Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.67703302; Eh
thumbnail.jpeg31-Aug-201632-ZKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-980.221511330; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92089820; Eh
thumbnail.jpeg26-Sep-2016/Silver Adduct_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.21136682; Eh
thumbnail.jpeg31-Aug-2016t26Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.67725982; Eh
thumbnail.jpeg31-Aug-2016t11Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68400747; Eh
thumbnail.jpeg26-Sep-2016/Copper IInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1854.90338663; Eh
thumbnail.jpeg26-Sep-2016/Gold Adduct_B_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92650156; Eh
thumbnail.jpeg31-Aug-2016t4-5Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76438406; Eh
thumbnail.jpeg31-Aug-2016t19Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.26664743; Eh
Results 1-10 of 288 (Search time: 0.002 seconds).