ABINITIO CALCULATIONS AS 1ST STEP TOWARDS THE STRUCTURE OF FREE-RADICALS .1. GEOMETRIES AND ENERGIES OF THE ETHYL ANALOGS NH2CH3+ AND CH2NH3+

被引:11
作者
BONAZZOLA, L [1 ]
LERAY, N [1 ]
ELLINGER, Y [1 ]
机构
[1] LAB ETUD DYNAM & STRUCT SELECT,CHIM THEOR GRP,DOMAINE UNIV 53X,F-38041 GRENOBLE,FRANCE
关键词
D O I
10.1016/0301-0104(82)85156-2
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
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页码:145 / 153
页数:9
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