Structure and energy of the positively i
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Yulia V. Novakovskaya; Nikolai F. Stepanov
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Article
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1997
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John Wiley and Sons
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English
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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.