INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA .6. DETERMINATION OF EMPIRICAL POTENTIALS FOR O-H=O=C HYDROGEN-BONDS FROM PACKING CONFIGURATIONS

被引:350
作者
SIPPL, MJ [1 ]
NEMETHY, G [1 ]
SCHERAGA, HA [1 ]
机构
[1] CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
关键词
D O I
10.1021/j150669a035
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
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页码:6231 / 6233
页数:3
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