CRITICAL-EVALUATION OF EMPIRICAL FORCE-FIELD MODELS FOR SIMULATION OF PLASTICITY OF COPPER(II) COORDINATION

被引:38
|
作者
SABOLOVIC, J [1 ]
RAOS, N [1 ]
机构
[1] UNIV ZAGREB, INST MED RES & OCCUPAT HLTH, M PIJADE 158, YU-41001 Zagreb, YUGOSLAVIA
关键词
D O I
10.1016/S0277-5387(00)86764-9
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The plasticity of the copper(II) coordination sphere was simulated with the empirical force-field (molecular mechanics) method. Altogether five models. © 1990.
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页码:1277 / 1286
页数:10
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