The geometries and relative energies of small clusters of water molecules, (HzO), with 4 < n G 8, are reported. For each value of n we have considered the conformations corresponding to the lowest-energy minimum and those in nearby relative minima. Thus we report on six tetramers, four pentamers, si
β¦ LIBER β¦
Thermodynamic characteristics of small water clusters
β Scribed by L. F. Sukhodub; Yu. V. Telezhenko; V. S. Shelkovskii
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1989
- Tongue
- English
- Weight
- 447 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0022-4766
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Structures of the negatively charged water clusters H O with n up to 2 n 6 were optimized at the UHFr4-31 q q G\*\* level without any geometrical restriction. There was found a chainlike structure for the trimer anion and both chainlike and cyclic geometries for the larger clusters. According to t