A THEORETICAL-STUDY OF TAUTOMERISM IN THE GAS-PHASE AND AQUEOUS-SOLUTION - A COMBINED USE OF STATE-OF-THE-ART ABINITIO QUANTUM-MECHANICS AND FREE-ENERGY PERTURBATION-METHODS

被引:179
作者
CIEPLAK, P [1 ]
BASH, P [1 ]
SINGH, UC [1 ]
KOLLMAN, PA [1 ]
机构
[1] UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
关键词
D O I
10.1021/ja00255a010
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6283 / 6289
页数:7
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