Collect. Czech. Chem. Commun. 2003, 68, 89-104
https://doi.org/10.1135/cccc20030089

The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N,N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

Stanislav Záliša,*, Antonín Vlček, Jr.a,b and Chantal Danielc

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-182 23 Prague, Czech Republic
b Department of Chemistry, Queen Mary, University of London, Mile End Road, London E1 4NS, United Kingdom
c Laboratoire de Chimie Quantique, UMR 7551 CNRS/Université Louis Pasteur, Institut Le Bel, 4 Rue Blaise Pascal, F-67 000 Strasbourg, France

Individual author index pages


Other CCCC articles of these authors

  • Jakub Jirkovský, Kateřina Macounová, Hartmut Dietz, Waldfried Plieth, Petr Krtil* and Stanislav Záliš*
    Raman Spectroscopy of Nanocrystalline Li-Ti-O Spinels and Comparative DFT Calculations on TiyOz and LixTiyOz Clusters
    2007, Vol. 72, Issue 2, pp. 171–184 [Abstract]