期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 45, 期 41, 页码 6856-6859出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.200602711
关键词
ab initio calculations; enzyme catalysis; QM/MM calculations; reaction mechanisms; transition-state theory
资金
- Engineering and Physical Sciences Research Council [EP/C532910/1, GR/R86119/01] Funding Source: researchfish
- EPSRC [EP/J010588/1] Funding Source: UKRI
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