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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegFe(Lcyc)(MeCN)2-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.42483131; Eh
thumbnail.jpegFe(Lcyc)(MeCN)2-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.41250925; Eh
thumbnail.jpegFe(Lcyc)(MeCN)2-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.42367459; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)2-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.02818541; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)2-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.02049860; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)(MeCN)2-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.02658114; Eh
thumbnail.jpegFe(Lopen)(MeCN)2-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.39184536; Eh
thumbnail.jpegFe(Lopen)(MeCN)2-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.40562609; Eh
thumbnail.jpegFe(Lopen)(MeCN)2-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1477.40771264; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)2-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.00971448; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)2-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2617.99910148; Eh
thumbnail.jpegMossbauer-Fe(Lopen)(MeCN)2-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.00388480; Eh
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