Molecular dynamics by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems

被引：0
|
作者：
Pezeshki, Soroosh [1 ]
Lin, Hai [1 ]
机构：
[1] Univ Colorado Denver, Denver, CO USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 249卷
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D O I：
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
317
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页数：1
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