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On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules

✍ Scribed by F. Pirani; P. Candori; M.S. Pedrosa Mundim; L. Belpassi; F. Tarantelli; D. Cappelletti


Book ID
113533046
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
693 KB
Volume
398
Category
Article
ISSN
0301-0104

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## Abstract The variation of atomic charges upon proton transfer in hydrogen bonding complexes of 4‐methylimidazole, in both neutral and protonated cationic forms, and acetate anion, is investigated. These complexes model the histidine (neutral and protonated)–aspartate pair present in active sites