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Localized molecular orbital studies on transition-metal complexes. III. Localized valence structures of transition-metal carbene complexes

✍ Scribed by Marynick, Dennis S.; Kirkpatrick, Carol M.

Book ID
126452096
Publisher
American Chemical Society
Year
1985
Tongue
English
Weight
251 KB
Volume
107
Category
Article
ISSN
0002-7863

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Localized molecular orbital studies of t
Localized molecular orbital studies of transition metal complexes. II: Simple Ο€-accepting ligands
✍ Carol M. Kirkpatrick; Dennis S. Marynick πŸ“‚ Article πŸ“… 1985 πŸ› John Wiley and Sons 🌐 English βš– 539 KB

Localized molecular orbitals (LMOs) for several octahedral complexes are presented. Wavefunctions are calculated within the PRDDO approximations and localized by the Boys criterion. Complexes of general formula (NH3),(CO)6-,M, M = Cro or Mn' and x = 1, 2, or 3 illustrate the general trends for carbo