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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
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
thumbnail.jpegFe(Lcyc)(MeCN)-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.61774474; Eh
thumbnail.jpegFe(Lcyc)(MeCN)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.62976624; Eh
thumbnail.jpegFe(Lcyc)(MeCN)-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1344.63704599; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.19885151; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.18593058; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.20120640; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.17528699; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.20112384; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.19411679; Eh
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