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Organic glasses: cluster structure of the random energy landscape

โœ Scribed by S.V. Novikov


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
223 KB
Volume
18
Category
Article
ISSN
0003-3804

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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.