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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegFe2O(Cl)2(Lcyc)2-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D) GENECP-3419.43427780; Eh
thumbnail.jpegFe2O(Cl)2(Lcyc)2-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3419.47172144; Eh
thumbnail.jpegFe2O(Cl)2(Lcyc)2-quintetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3419.47978876; Eh
thumbnail.jpegFe2O(Cl)2(Lcyc)2-septetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3419.48318104; Eh
thumbnail.jpegFe2O(Cl)2(Lcyc)2-nonetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3419.50447170; Eh
thumbnail.jpegFe2O(Cl)2(Lcyc)2-11eFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3419.51850736; Eh
thumbnail.jpegDimer-SCN-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D) GENECP-3406.12992422; Eh
thumbnail.jpegDimer-SCN-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3406.16191810; Eh
thumbnail.jpegDimer-SCN-quintetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3406.15977976; Eh
thumbnail.jpegDimer-SCN-septetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3406.18088343; Eh
thumbnail.jpegDimer-SCN-nonetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-3406.18054914; Eh
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.jpegFe(NCS)(SBPy3)-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D) GENECP-1663.22004164; Eh
thumbnail.jpegFe(NCS)(SBPy3)-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1663.17736270; Eh
thumbnail.jpegFe(NCS)(SBPy3)-quintetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1663.21738438; Eh
thumbnail.jpegFe(Lopen)(MeCN)-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.63949228; Eh
thumbnail.jpegFe(Lopen)(MeCN)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.62582785; Eh
thumbnail.jpegFe(Lopen)(MeCN)-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.64177602; Eh
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