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Dipolar character of ligand-centered transitions in transition metal tris-bipyridyl complexes

✍ Scribed by Stephan J. Hug; Steven G. Boxer

Book ID
103112841
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
508 KB
Volume
242
Category
Article
ISSN
0020-1693

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πŸ“œ SIMILAR VOLUMES

Vibrational center–ligand couplings in t
Vibrational center–ligand couplings in transition metal complexes
✍ Johannes Neugebauer; Markus Reiher πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 284 KB

The mode-tracking principle [J. Chem. Phys. 2003, 118, 1634] for the direct quantum chemical calculation of preselected, characteristic molecular vibrations makes vibrational analyses of very large molecules feasible. This is demonstrated here for the [(Ph(3)PAu)(6)C](2+) complex, in which 18 phenyl