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Possible Mechanism of OH Frequency Shift Dynamics in Water †

✍ Scribed by Georgievskii, Yuri; Marcus, R. A.


Book ID
126850801
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
36 KB
Volume
105
Category
Article
ISSN
1089-5639

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Non-additivity of OH frequency shifts in
✍ Kersti Hermansson; Jan Lindgren; Michael M. Probst 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 451 KB

The intramolecular OH stretching frequency shift observed for water on formation of 'cation-water ..H-bond acceptor' complexes is highly non-additive. The uncoupled OH frequency shift has been calculated by ab initio methods for q + -OH\* and OH,...q complexes of different geometries and for a serie