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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20182_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1106.40054021; Eh
thumbnail.jpeg8-May-20182_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1106.39879482; Eh
thumbnail.jpeg8-May-20183_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1051.05514145; Eh
thumbnail.jpeg8-May-20181_TSpFernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1161.81391529; Eh
thumbnail.jpeg8-May-20181_PFernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.85797794; Eh
thumbnail.jpeg8-May-20181_Int2Fernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.82438737; Eh
thumbnail.jpeg8-May-20181_TS1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.73611261; Eh
thumbnail.jpeg8-May-20181_Int1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.77429017; Eh
thumbnail.jpeg8-May-20181_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.74199126; Eh
thumbnail.jpeg8-May-20181_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-M06-FClanl2dz; 6-31+g(d)-1011.53613937; Eh
Results 31-40 of 41 (Search time: 0.001 seconds).