Journal of Physical Chemistry B 2001 Simone Melchionna - Abstracts
Journal of Physical Chemistry B 2001 Simone Melchionna | |||||
Title | Subject | Authors | |||
---|---|---|---|---|---|
Calculating vibrational energy relaxation rates from classical molecular dynamics simulations: quantum correction factors for processes involving vibration-vibration energy transfer. | Chemicals, plastics and rubber industries | Mark E. Tuckerman, Simone Melchionna, J.L. Skinner, Kisam Park | |||
Constrained isothermal-isobaric molecular dynamics with full atomic virial. | Chemicals, plastics and rubber industries | Mark E. Tuckerman, Glenn J. Martyna, Giovanni Ciccotti, Simone Melchionna | |||
Point defects in hard-sphere crystals. | Chemicals, plastics and rubber industries | Mark E. Tuckerman, Daan Frenkel, Simone Melchionna, Sander Pronk |
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