FROZEN FRAGMENT REDUCED VARIATIONAL SPACE ANALYSIS OF HYDROGEN-BONDING INTERACTIONS - APPLICATION TO THE WATER DIMER

被引:376
|
作者
STEVENS, WJ [1 ]
FINK, WH [1 ]
机构
[1] UNIV CALIF DAVIS, DEPT CHEM, DAVIS, CA 95616 USA
关键词
D O I
10.1016/0009-2614(87)80143-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:15 / 22
页数:8
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