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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20183_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM06; TD-FClanl2dz; 6-31+g(d)-900.860845358; 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_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM06; TD-FClanl2dz; 6-31+g(d)-956.199443151; Eh
thumbnail.jpeg15-Oct-2018a_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+g(d)-1399.62671334; Eh
thumbnail.jpeg15-Oct-2018b_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+g(d)-1399.63366634; Eh
thumbnail.jpeg30-Sep-2020TD_fac-6coord-NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7899269; Eh
thumbnail.jpeg30-Sep-2020TD_fac-6coord-SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7683658; Eh
thumbnail.jpeg30-Sep-2020TD_NCMe-SCN-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9079422; Eh
thumbnail.jpeg30-Sep-2020TD_NCMe-NCS-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9299729; Eh
thumbnail.jpeg30-Sep-2020TD_NCS-NCMe-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9302884; Eh
Results 1-10 of 25 (Search time: 0.001 seconds).