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A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case

✍ Scribed by Ronca, Enrico; Belpassi, Leonardo; Tarantelli, Francesco

Book ID
125514300
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
547 KB
Volume
15
Category
Article
ISSN
1439-4235

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## Abstract In this paper an attempt is made to define charge transfer trying also other ways than Mulliken's population analysis. To illustrate this the amount of transferred charge (__q__) in the complexes HCONH~2~ + OHCβ€”CHO in two relative geometrical positions, H~2~O + H~2~O and H~2~O + Li^+^ h