Non-additivity of OH frequency shifts in
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Kersti Hermansson; Jan Lindgren; Michael M. Probst
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Article
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1995
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Elsevier Science
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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