Redox free energies from vertical energy gaps: Ab initio molecular dynamics implementation

被引：0
|
作者：
Blumberger, J. [1 ,3 ]
Sprik, M. [2 ]
机构：
[1] Univ Penn, Ctr Mol Modeling, 231 S 34th St, Philadelphia, PA 19104 USA
[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
[3] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
来源：
COMPUTER SIMULATIONS IN CONDENSED MATTER SYSTEMS: FROM MATERIALS TO CHEMICAL BIOLOGY, VOL 2 | 2006年 / 704卷
关键词：
D O I：
10.1007/3-540-35284-8_18
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
[No abstract available]
引用
收藏
页码：481 / +
页数：4
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