A NOVEL CALCULATION OF PROTON HYPERFINE COUPLIING CONSTANTS IN ALLYL RADICAL

被引:17
作者
HINCHLIFFE, A
ATHERTON, NM
机构
关键词
D O I
10.1080/00268976700100861
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:89 / +
页数:1
相关论文
共 8 条
[1]   ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].
FESSENDEN, RW ;
SCHULER, RH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&
[2]   CI CALCULATION OF SPIN DENSITIES IN PI-RADICALS AND IONS USING HUCKEL ORBITALS AS A BASIS [J].
HINCHLIFFE, A .
THEORETICA CHIMICA ACTA, 1967, 7 (01) :25-+
[4]   SPIN POLARIZATION EFFECTS IN PARAMAGNETIC MOLECULES CALCULATIONS ON THE NH2 RADICAL [J].
MCWEENY, R ;
SUTCLIFFE, BT .
MOLECULAR PHYSICS, 1963, 6 (05) :493-502
[5]   A MOLECULAR ORBITAL THEORY OF HYDROCARBONS .2. ETHANE ETHYLENE AND ACETYLENE [J].
POPLE, JA ;
SANTRY, DP .
MOLECULAR PHYSICS, 1965, 9 (04) :301-&
[6]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&
[7]  
SUTCLIFFE BT, IN PRESS
[8]  
30 QUANT CHEM PROGR