VALENCE ORBITAL BEHAVIOR DURING CHANGES IN INTERMOLECULAR SEPARATION - COMPARISON OF MODELS BASED ON EMPIRICAL UNITED ATOM THEORY AND ON SEMIEMPIRICAL CNDO/BW THEORY

被引:3
作者
HOLLEBONE, BR
WHITEHEA.MA
机构
[1] YORK UNIV, CHEM DEPT, DOWNSVIEW 463, ONTARIO, CANADA
[2] UNIV CAMBRIDGE, THEORET CHEM DEPT, CAMBRIDGE CB2 1EW, ENGLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1973年 / 69卷 / 05期
关键词
D O I
10.1039/f29736900648
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:648 / 657
页数:10
相关论文
共 33 条
[11]  
Coulson C. A., 1961, VALENCE
[12]  
DAHL JP, 1968, ADV QUANTUM CHEM, V4, P70
[13]  
FEINBERG MJ, 1970, ADV QUANTUM CHEM, V5, P43
[14]   ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE [J].
FINK, WH ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2276-&
[15]  
FISCHERHJALMARS I, 1965, ADVANCES QUANTUM CHE, V2, P25
[16]   VIBRATIONAL AND OTHER CORRECTIONS TO NUCLEAR QUADRUPOLE-MOMENT OF N-14 IN AMMONIA [J].
GRIGOLIN, P ;
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (04) :1369-+
[17]  
HERZBERG G, 1966, ELECTRONIC SPECTRA E
[18]   UNITED ATOM MODELS FOR POLYATOMIC LIGANDS .1. HYDROGEN DERIVATIVES [J].
HOLLEBONE, BR .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (19) :3008-+
[19]   UNITED ATOM MODELS FO POLYATOMIC LIGANDS .2. METHYL AND FLUORO DERIVATIVES [J].
HOLLEBONE, BR .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (19) :3014-+
[20]   UNITED ATOM MODELS FOR POLYATOMIC LIGANDS .3. HYDROGEN AND METHYL DERIVATIVES AND PSEUDOHALIDES [J].
HOLLEBONE, BR .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (19) :3021-+