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Ab initio molecular orbital study of OH−(H2O)n and SH−(H2O)n in the gas phase

✍ Scribed by M. Masamura


Book ID
108312265
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
127 KB
Volume
339
Category
Article
ISSN
0009-2614

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Ab initio study of the gas-phase equilib
✍ A.M. Ferrari; E. Garrone; P. Ugliengo 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 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