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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20181_Int0Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.76642489; Eh
thumbnail.jpeg8-May-20181_Int2Fernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.82438737; Eh
thumbnail.jpeg8-May-20181_TSpFernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1161.81391529; Eh
thumbnail.jpeg8-May-20181_Int1Fernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.78191466; Eh
thumbnail.jpeg8-May-20184_R3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-979.361994222; Eh
thumbnail.jpeg8-May-20183_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1051.05514145; Eh
thumbnail.jpeg8-May-20181_R3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1011.46459979; Eh
thumbnail.jpeg8-May-20184_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1129.61654298; Eh
thumbnail.jpeg8-May-20184_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06; TD-FClanl2dz; 6-31+g(d)-979.424294427; Eh
thumbnail.jpeg8-May-20182_R3-1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-956.115027329; Eh
Results 1-10 of 148 (Search time: 0.0 seconds).