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ChemInform Abstract: Organic Mixed Valence

โœ Scribed by Jihane Hankache; Oliver S. Wenger


Publisher
John Wiley and Sons
Year
2011
Weight
18 KB
Volume
42
Category
Article
ISSN
0931-7597

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โœฆ Synopsis


Abstract

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Ab initio study of organic mixed valency
โœ Dominique Dehareng; Georges Dive; Alec Moradpour ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 373 KB ๐Ÿ‘ 1 views

A series of six radical cations of the type (D-L-D) + was investigated at the ab initio unrestricted Hartree-Fock level. One localized and one delocalized conformation were systematically searched by full geometry optimization. At both nuclear arrangements, mostly found as being minima in the symmet