A COMBINED ABINITIO QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL METHOD FOR CARRYING OUT SIMULATIONS ON COMPLEX MOLECULAR-SYSTEMS - APPLICATIONS TO THE CH3CL + CL- EXCHANGE-REACTION AND GAS-PHASE PROTONATION OF POLYETHERS

被引:1047
作者
SINGH, UC
KOLLMAN, PA
机构
关键词
D O I
10.1002/jcc.540070604
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:718 / 730
页数:13
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