Electronic structure calculations of chemical reactions in proteins and solutions.

被引：0
作者：
Warshel, A [1 ]
机构：
[1] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 215卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
414-PHYS
引用
收藏
页码：U272 / U272
页数：1
相关论文
共 4 条
[1]   Langevin dipoles model for ab initio calculations of chemical processes in solution: Parametrization and application to hydration free energies of neutral and ionic solutes and conformational analysis in aqueous solution [J].
Florian, J ;
Warshel, A .
JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (28) :5583-5595
[2]   AB-INITIO CALCULATIONS OF FREE-ENERGY BARRIERS FOR CHEMICAL-REACTIONS IN SOLUTION [J].
MULLER, RP ;
WARSHEL, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (49) :17516-17524
[3]  
Warshel A., 1991, COMPUTER MODELING CH
[4]   Ab initio frozen density functional calculations of proton transfer reactions in solution [J].
Wesolowski, T ;
Muller, RP ;
Warshel, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (38) :15444-15449
1