| Autor: |
Palmer, Bruce J., Garrett, Bruce C. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 3/1/1993, Vol. 98 Issue 5, p4047, 12p, 4 Charts, 14 Graphs |
| Abstrakt: |
Rigid and flexible models of liquid water and carbon dioxide are simulated using Andersen–Nosé constant pressure–constant temperature molecular dynamics. Both equilibrium and dynamical properties are investigated and compared with constant energy simulations of the same models. The results of the constant pressure–constant temperature simulations are in very close agreement with the constant energy simulations, even for dynamical quantities. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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