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Structural features and energy of small water clusters

โœ Scribed by S. V. Drozdov; A. A. Vostrikov


Book ID
110124338
Publisher
SP MAIK Nauka/Interperiodica
Year
2000
Tongue
English
Weight
63 KB
Volume
26
Category
Article
ISSN
1063-7850

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Geometry optimization of small H O clusters n F 4 at the UHFr4-31qqG level 2 n indicates that the cations consist of two fragments: the OH radical and the H O q 2 ny1 ny1 ion. The latter can be considered as a thermodynamically stable combination of a q ลฝ . distorted H O ion and n y 2 H O molecules.