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Gas-phase vibrational spectroscopy and ab initio calculations of Rb+(H2O)n and Rb+(H2O)nAr cluster ions

โœ Scribed by Amy L. Nicely; Dorothy J. Miller; James M. Lisy


Book ID
108185321
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
762 KB
Volume
257
Category
Article
ISSN
0022-2852

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Ab initio study of the gas-phase equilib
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