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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegFe(Lcyc)-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1211.81381126; Eh
thumbnail.jpegFe(Lcyc)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1211.84450082; Eh
thumbnail.jpegFe(Lcyc)-sextetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+G(D) GENECP-1211.84446304; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2352.31477172; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2352.34608779; Eh
thumbnail.jpegMossbauer-Fe(Lcyc)-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASEDFTdef2-TZVPP; Autoaux; CP(PPP)-2352.34463211; Eh
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