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Toward molecular models of proton pumping: Challenges, methods and relevant applications |
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| Authors: | Demian Riccardi Xiao Zhu Puja Goyal Shuo Yang GuanHua Hou Qiang Cui |
| Institution: | * Department of Chemistry and Theoretical Chemistry Institute,University of Wisconsin,Madison,1101 University Ave,Madison,WI 53706,USA |
| Abstract: | |
| Keywords: | proton pumping QM/MM simulations SCC-DFTB microscopic pKa multi-scale simulations |
| 本文献已被 CNKI SpringerLink 等数据库收录！ | |