Journal of Physical Chemistry B 2006 Arieh Warshel - Abstracts
| Journal of Physical Chemistry B 2006 Arieh Warshel | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| Towards accurate ab inito QM/MM calculations of free-energy profiles of enzymatic reactions. | Chemicals, plastics and rubber industries | Arieh Warshel, Marco Klahn, Edina Rosta | |||
| Using a charging coordinate in studies of ionization induced partial unfolding. | Chemicals, plastics and rubber industries | Arieh Warshel, Mitsunori Kato | |||
| Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phases.(density functional theory) | Chemicals, plastics and rubber industries | Arieh Warshel, Edina Rosta, Gongyi Hong | |||
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