Dicyanopyridin • NiPorph Komplex - IR unskaliert PBE/DZP

zurück: CyanoPorph • Ligand IR-Spektren

L = CyanoPy

• Cyanopyridin IR unskaliert PBE/DZP
• Cyanopyridin IR skaliert PBE/DZP + Experiment
• Cyanopyridin IR experimentell
• Dicyanopyridin • NiPorph Komplex - IR unskaliert PBE/DZP
• Dicyanopyridin • NiPorph Komplex - IR skaliert PBE/DZP + Experiment
• Dicyanopyridin • NiPorph Komplex - IR experimentell

gerechnetes Spektrum (PBE/DZP) des [NiPorph · 2 Cyanopyridin], unskaliert:

Datei:PBE-DZP Niporph Cyanopyridin 2zu1 coplanar-t.IR.pseudo.log

rechte Maustaste/Modell ... zur Auswahl der anzuzeigenden Schwingung

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</jmol> CNPy-Porph Streckschwingung bei 2267 Wellenzahlen

Datei:Niporph Cyanopyridin 2zu1 coplanar-t IR unskaliert mit banden.zip

Datei:Niporph Cyanopyridin 2zu1 coplanar-t IR schwingungen.txt