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Ab Initio Chemical Kinetics for the Hydrolysis of N 2 O 4 Isomers in the Gas Phase

โœ Scribed by Zhu, R. S.; Lai, Ke-Yu; Lin, M. C.


Book ID
125893130
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
390 KB
Volume
116
Category
Article
ISSN
1089-5639

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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