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Oxygen isotope exchange kinetics between H2O and H4SiO4 from ab initio calculations

โœ Scribed by Mihali A. Felipe; James D. Kubicki; Danny M. Rye

Book ID
116501097
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
228 KB
Volume
68
Category
Article
ISSN
0016-7037

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โœ A.M. Ferrari; E. Garrone; P. Ugliengo ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 372 KB

Ab initio techniques inclusive of electron correlation (MP2) are used to study the gas-phase dimerization of water tetramers (T) into octamers (0), which is relevant to a model for the specific heat of liquid water. The T species has one basic structure, whereas three different conformations for the