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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20184_TS3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1129.61037053; Eh
thumbnail.jpeg8-May-20182_R3-1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-956.115027329; Eh
thumbnail.jpeg8-May-20182_TS3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1106.37109730; Eh
thumbnail.jpeg8-May-20182_R3-2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-956.123187851; Eh
thumbnail.jpeg8-May-20181_Int3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-971.636685460; Eh
thumbnail.jpeg8-May-20181_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1161.73960331; Eh
thumbnail.jpeg8-May-20181_3Int1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1161.76718038; Eh
thumbnail.jpeg8-May-20181_TS3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1161.71434669; Eh
thumbnail.jpeg8-May-20183_R3Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-900.782548687; Eh
thumbnail.jpeg8-May-20181_3TSDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1161.75415665; Eh
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