Browsing by Author Kuniyil, Rositha

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Apr-20171Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-1355.30019457; Eh
thumbnail.jpeg26-Apr-20171aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-1455.24832627; Eh
thumbnail.jpeg26-Apr-20171bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1971.97853112; Eh
thumbnail.jpeg26-Apr-20172aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D--1455.23831740; Eh
thumbnail.jpeg26-Apr-20172bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1971.97027671; Eh
thumbnail.jpeg31-Aug-201632-EKuniyil, RosithaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB97D6-31G(d)-980.222157615; Eh
thumbnail.jpeg31-Aug-201632-ZKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-980.221511330; Eh
thumbnail.jpeg31-Aug-201633-EKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-1019.51168444; Eh
thumbnail.jpeg31-Aug-201633-ZKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-1019.51099845; Eh
thumbnail.jpeg26-Apr-20173aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-946.185668584; Eh
thumbnail.jpeg26-Apr-20173bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1462.91762053; Eh
thumbnail.jpeg26-Apr-20173´aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-1455.21637284; Eh
thumbnail.jpeg26-Apr-20173´bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1971.94892291; Eh
thumbnail.jpeg26-Apr-20174aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-946.189729969; Eh
thumbnail.jpeg26-Apr-20174bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1462.92720857; Eh
thumbnail.jpeg26-Apr-20174solvent-csKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1013.45147994; Eh
thumbnail.jpeg26-Apr-20175aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-1134.67902534; Eh
thumbnail.jpeg26-Apr-20175bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1651.41262889; Eh
thumbnail.jpeg26-Apr-20176aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d)-1134.73350916; Eh
thumbnail.jpeg26-Apr-20176bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-1651.47136347; Eh