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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegfac_6coord_NCS-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.71801581; Eh
thumbnail.jpegFe(tpena)(NCS)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.69854993; Eh
thumbnail.jpegfac_6coord_NCS-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.70204980; Eh
thumbnail.jpegFe(tpena)(NCS)-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.72026188; Eh
thumbnail.jpegfac_6coord_NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.71806614; Eh
thumbnail.jpegfac_6coord_SCN-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.69777483; Eh
thumbnail.jpegfac_6coord_SCN-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.68812898; Eh
thumbnail.jpegfac_6coord_SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.70039811; Eh
thumbnail.jpegi7-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.69852406; Eh
thumbnail.jpegi7-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.72035544; Eh
thumbnail.jpegmer_6coord_NCS-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.70047651; Eh
thumbnail.jpegmer_6coord_NCS-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.69420615; Eh
thumbnail.jpegmer_6coord_NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.71086294; Eh
thumbnail.jpegi7_SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.71302084; Eh
thumbnail.jpegmer_6coord_SCN-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.68203831; Eh
thumbnail.jpegmer_6coord_SCN-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.68036667; Eh
thumbnail.jpegmer_6coord_SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1891.69551597; Eh
thumbnail.jpegTD_fac-6coord-NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7899269; Eh
thumbnail.jpegTD_fac-6coord-SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7683658; Eh
thumbnail.jpegTD_mer-6coord-NCS-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7806801; Eh
thumbnail.jpegTD_i7-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7856026; Eh
thumbnail.jpegTD_mer-6coord-SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7622458; Eh
thumbnail.jpegTD_i7_SCN-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UCAM-B3LYP; TD-FC6-31+G(D) GENECP-1890.7719295; Eh
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