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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg30-Sep-2020TD_SCN-NCMe-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9064366; Eh
thumbnail.jpeg30-Sep-2020TD_NCMe-SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9184696; Eh
thumbnail.jpeg30-Sep-2020TD_NCS-NCMe-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.9363089; Eh
thumbnail.jpeg30-Sep-2020TD_NCMe-NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1834.934529; Eh
thumbnail.jpeg30-Sep-2020TD_mer-6coord-SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7622458; Eh
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