A MOLECULAR ORBITAL TREATMENT OF HYDROGEN BONDS .I. PRELIMINARY RESULTS

被引:49
作者
MOROKUMA, K
KATO, H
YONEZAWA, T
FUKUI, K
机构
关键词
D O I
10.1246/bcsj.38.1263
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1263 / +
相关论文
共 20 条
[1]  
BASTIANSEN O, 1944, TIDS KJEMI BERGVESEN, V4, P81
[2]  
Coulson C. A., 1957, RESEARCH, V10, P149
[3]  
COULSON CA, 1954, ARK FYS, V8, P245
[4]  
COULSON CA, 1954, ARK FYS, V8, P239
[5]  
Hadzi D., 1959, HYDROGEN BONDING
[6]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[7]  
Karle J., 2002, J AM CHEM SOC, V66, P574, DOI [10.1021/ja01232a022, DOI 10.1021/JA01232A022]
[8]  
MOORE LC, ATOMIC ENERGY LEVELS
[9]   FORMULAS AND NUMERICAL TABLES FOR OVERLAP INTEGRALS [J].
MULLIKEN, RS ;
RIEKE, CA ;
ORLOFF, D ;
ORLOFF, H .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1248-1267
[10]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840