Calculations of spectral characteristics of Ru binuclear II, II and III, III complexes were performed by the restricted CI method. Both delocalized and localized basis sets were used and led to equivalent results. The post-HartreeαFock nature of Ε½ . III, III compound wave functions were demonstrated
Electronic structure and spectra of model compound I complexes
β Scribed by Gilda H. Loew; Ping Du
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 79 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0162-0134
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