AB-INITIO CALCULATION OF SPIN DIPOLE-DIPOLE PARAMETERS FOR METHYLENE

被引:55
作者
LANGHOFF, SR [1 ]
DAVIDSON, ER [1 ]
机构
[1] UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195
关键词
D O I
10.1002/qua.560070413
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
收藏
页码:759 / 777
页数:19
相关论文
共 38 条
[1]  
ASHURST PK, 1968, THESIS U WASHINGTON
[2]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[3]   ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2 [J].
BERNHEIM, RA ;
BERNARD, HW ;
WANG, PS ;
WOOD, LS ;
SKELL, PS .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1280-&
[4]  
Carrington A., 1979, INTRO MAGNETIC RESON
[5]   THEORY OF HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .3. METHYL RADICAL IN PYRAMIDAL CONFIGURATION - TEMPERATURE DEPENDENCE OF HYPERFINE SPLITTINGS [J].
CHANG, SY ;
DAVIDSON, ER ;
VINCOW, G .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5596-&
[6]   THEORY OF HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .2. NONEMPIRICAL CALCULATIONS OF METHYL RADICAL (PLANAR) [J].
CHANG, SY ;
DAVIDSON, ER ;
VINCOW, G .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (04) :1740-&
[8]   SPIN-ORBIT INTERACTIONS AND THEIR EFFECT ON ZERO-FIELD SPLITTING OF METHYLENE RADICAL [J].
FOGEL, SJ ;
HAMEKA, HF .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (01) :132-&
[9]   SPIN-ORBIT INTERACTIONS IN MOLECULAR RADICALS [J].
GLARUM, SH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (11) :3141-&
[10]   AB-INITIO STUDY OF ZERO FIELD SPLITTING PARAMETERS OF 3B1 METHYLENE [J].
HARRISON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (12) :5413-&