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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20183_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1051.05514145; 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_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1106.39879482; Eh
thumbnail.jpeg8-May-20181_3Int1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1161.76718038; Eh
thumbnail.jpeg8-May-20181_MECPFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1161.73960331; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c5_O2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.80162076; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_MECP_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.79314396; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_O2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-150.298142864; Eh
thumbnail.jpeg11-May-2021MECP-3C-osC-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1275.55942465; Eh
Results 1-10 of 96 (Search time: 0.001 seconds).