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 WissenschaftsverlagVibrational spectra of the pyrazine and the pyrazine-Ar cation in the electronic ground state (D0) have been measured via several intermediate states of the first excited state (S1) by mass-analyzed threshold ionization spectroscopy...
Keywords: MATI, REMPI, azabenzenes, pyrazine, Van-der-Waals molecules
05/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag