Finite-temperature characterization and simulations of the molecular assemblies Mn6and Ni12
โ Scribed by G. Kamieniarz; R. Matysiak; A. Caramico D'Auria; F. Esposito; C. Benelli
- Book ID
- 106260257
- Publisher
- Springer
- Year
- 2001
- Tongue
- English
- Weight
- 215 KB
- Volume
- 23
- Category
- Article
- ISSN
- 1434-6036
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We have investigated a molecular dynamics procedure for simulating the temperature-dependent behavior of three face-centered-cubic metals: aluminum, copper, and platinum. A potential due to Cai and Ye, which includes both pairwise additive and multibody terms, was used in conjunction with the CHARMM