|
|||||
|
|
Understanding cross-boundary events in ONIOM QM:QM' calculations |
|
| Authors: | Lundberg Marcus |
| Affiliation: | Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano, Kyoto 606-8103, Japan. marcus.lundberg@kvac.uu.se |
| Abstract: | |
| Keywords: | multiscale modeling reactivity serine protease hydrogen bonds QM simulations |
| 本文献已被 PubMed 等数据库收录！ | |