THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER

被引:174
作者
KOLLMAN, PA
ALLEN, LC
机构
关键词
D O I
10.1063/1.1672746
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:5085 / &
相关论文
共 35 条
[1]   BASIS FUNCTIONS FOR ABINITIO CALCULATIONS [J].
ALLEN, LC ;
KARO, AM .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :275-285
[2]   VIBRATION-ROTATION SPECTRA OF MONOMERIC HF IN RARE-GAS LATTICES .2. [J].
BOWERS, MT ;
KERLEY, GI ;
FLYGARE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (09) :3399-&
[3]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[4]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[5]   MICROWAVE ROTATION SPECTRA OF HYDROGEN-BONDED MOLECULES [J].
COSTAIN, CC ;
SRIVASTAVA, GP .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (06) :1620-&
[6]  
DAVIDSON RS, UNPUBLISHED
[7]  
FINK W, UNPUBLISHED
[8]   DIMERS OF WATER MOLECULE IN EARTHS ATMOSPHERE [J].
GEBBIE, HA ;
BURROUGHS, WJ ;
CHAMBERLAIN, J ;
HARRIES, JE ;
JONES, RG .
NATURE, 1969, 221 (5176) :143-+
[9]  
HAMILTON W, 1968, HYDROGEN BONDING SOL, P154
[10]  
HERZBERG G, 1950, MOLECULAR SPECTRA MO