THEORETICAL APPROACH TO FLUORINE SUBSTITUTION IN X2NO AND X2CN FREE-RADICALS - COMPARISON BETWEEN ABINITIO UHF AND RHF + PERTURBATION TREATMENTS

被引:33
作者
BARONE, V
LELJ, F
RUSSO, N
ELLINGER, Y
SUBRA, R
机构
[1] UNIV CALABRIA,DEPT CHIM,I-87030 ARCAVACATA RENDE,ITALY
[2] GRP CHIM THEOR,ETUDES DYNAM & STRUCT SELECT LAB 332,F-38402 ST MARTIN DHERES,FRANCE
关键词
D O I
10.1016/0301-0104(83)85220-3
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:385 / 396
页数:12
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