QUANTUM-MECHANICAL CALCULATIONS OF MOLECULAR-PROPERTIES AND MULLIKEN INFLUENCE IN THEIR DEVELOPMENTS

被引:7
作者
CLEMENTI, E
机构
关键词
D O I
10.1021/j100454a005
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:2122 / 2134
页数:13
相关论文
共 70 条
[1]   STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466
[2]  
BRUNA PJ, 1978, GAZZ CHIM ITAL, V108, P395
[3]  
BUENKER RJ, 1978, GAZZ CHIM ITAL, V108, P245
[4]  
CLEMENTI E, 1976, B SOC CHIM BELG, V85, P969
[5]   NONADDITIVITY OF INTERACTION IN WATER TRIMERS [J].
CLEMENTI, E ;
KOLOS, W ;
LIE, GC ;
RANGHINO, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) :377-398
[6]   INTERACTION OF WATER WITH DNA SINGLE-HELIX IN THE A CONFORMATION [J].
CLEMENTI, E ;
CORONGIU, G .
BIOPOLYMERS, 1979, 18 (10) :2431-2450
[7]   LOW EXCITED STATES IN C-2 [J].
CLEMENTI, E ;
PITZER, KS .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (03) :656-662
[8]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[9]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .10. GROUND STATE FOR ADENINE, CYTOSINE, GUANINE AND THYAMINE [J].
CLEMENTI, E ;
ANDRE, JM ;
ANDRE, MC ;
KLINT, D ;
HAHN, D .
ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4) :493-&
[10]   INTERACTION OF WATER WITH DNA SINGLE AND DOUBLE HELIX IN THE B-CONFORMATION [J].
CLEMENTI, E ;
CORONGIU, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (04) :897-915