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Electron Delocalization in Polyene-Bridged Binuclear Complexes

✍ Scribed by Benniston, Andrew C.; Goulle, Veronique; Harriman, Anthony; Lehn, Jean-Marie; Marczinke, Bernd


Book ID
121451156
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
756 KB
Volume
98
Category
Article
ISSN
0022-3654

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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