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Comparative electronic spectra and structure of mononuclear and binuclear dioxygen complexes

✍ Scribed by McLendon, George.; Pickens, Stanley R.; Martell, Arthur E.


Book ID
126011642
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
456 KB
Volume
16
Category
Article
ISSN
0020-1669

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Electronic structure and spectra of ruth
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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-Hartree᎐Fock nature of Ž . III, III compound wave functions were demonstrated