at 300 K
β Scribed by Coleman, R. V.; McNairy, W. W.; Slough, C. G.
- Book ID
- 125815781
- Publisher
- The American Physical Society
- Year
- 1992
- Tongue
- English
- Weight
- 409 KB
- Volume
- 45
- Category
- Article
- ISSN
- 1098-0121
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π SIMILAR VOLUMES
A Monte Carlo simulation for a methane molecule within a cluster of 202 water molecules is presented and compared with previous studies by Scheraga and Beveridge. Whereas the structural information obtained agrees with previous fmdings, the energy points to the need for a very large number of Monte
hfonte Carlo simulations are presented for a methanol molecule enclosed ma cluster of 198 water molecules. We have simulated three conformatIons for methanol (staggered, perpendicular and echpsed); m a fourth simulation the methanol's hydrogen atom In the hydroxyl group is free to assume any conform