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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.19885151; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.18593058; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.20120640; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lcyc)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2352.31477172; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)2-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.00971448; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)2-quartetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2617.99910148; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lcyc)(MeCN)-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.19411679; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lcyc)(MeCN)2-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.02818541; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lcyc)(MeCN)-doubletFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2485.17528699; Eh
thumbnail.jpeg30-Sep-2020Mossbauer-Fe(Lopen)(MeCN)2-sextetFondevila, Adiran J. De AguirreOrca; 4.0.1.2; RELEASESingle pointDFTdef2-TZVPP; Autoaux; CP(PPP)-2618.00388480; Eh
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