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Items for "photoionization"

Vibrational Frequencies and Ionization Energy of Bis(η6-Benzene)Chromium as Studied by Density Functional Theory

The geometry of the bis(η6-benzene)chromium neutral molecule 1 and cation 1+ have been optimized at various DFT levels with use of LSDA, GGA and hybride functionals...

Keywords: MATI, photoionization, organometallic complexes, bisbenzenechromium

05/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag