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Electronic Structure and Solvation of Copper and Silver Ions: A Theoretical Picture of a Model Aqueous Redox Reaction

✍ Scribed by Jochen Blumberger; Leonardo Bernasconi; Ivano Tavernelli; Rodolphe Vuilleumier; Michiel Sprik

Publisher
John Wiley and Sons
Year
2004
Weight
53 KB
Volume
35
Category
Article
ISSN
0931-7597

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✦ Synopsis

Abstract

For Abstract see ChemInform Abstract in Full Text.

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performed by ab i n i t i o methods f o r a l l e n e , ketene, k e t e n l d n e and keteniminium ion. Vinylketene and vinylketenimine were also i n v e s t i g a t e d . The e l e c t r o n i c populations, t h e f r o n t i e r o r b i t a l e n e r g i e s and c o e f f i c i e n t s were deduct