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Molecular orbital calculations of iron(II) complexes of diimine ligands

โœ Scribed by Denis W. Clack; Leon A. P. Kane-Maguire; David H. Knight; Peter A. Williams


Publisher
Springer
Year
1980
Tongue
English
Weight
263 KB
Volume
5
Category
Article
ISSN
0340-4285

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๐Ÿ“œ SIMILAR VOLUMES


Localized molecular orbital studies of t
โœ Carol M. Kirkpatrick; Dennis S. Marynick ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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