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Ionic charge-transfer complexes. 1. Cationic complexes with delocalized and partially localized .pi. systems

โœ Scribed by Meot-Ner, M. Michael.; El-Shall, M. Samy.


Book ID
118038772
Publisher
American Chemical Society
Year
1986
Tongue
English
Weight
659 KB
Volume
108
Category
Article
ISSN
0002-7863

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Semiempirical calculation of electronic
โœ Joanna Sadlej ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science โš– 324 KB

The localized molecular orbitals for the hydration complexes of Hf and Li+ cations, F-anion, and linear dimer of water molecules are obtained from their CND0/2 wavefunctions. The bonding of these systems is qualitatively discussed in the light of the localized orbitals.