MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .3. DIMERS CONTAINING NH2OH, H2O, HOF, AND H2O

被引:62
作者
DELBENE, JE
机构
关键词
D O I
10.1063/1.1678509
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:1899 / &
相关论文
共 20 条
[1]  
Coulson CA, 1939, PROC R SOC LON SER-A, V169, P0413, DOI 10.1098/rspa.1939.0006
[2]   THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS [J].
DELBENE, J ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) :4858-+
[3]  
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[4]   MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .2. DIMERS CONTAINING H2O2 AND H2O [J].
DELBENE, JE .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :4923-&
[5]  
DELBENE JE, 1971, J CHEM PHYS, V55, P4633, DOI 10.1063/1.1676800
[6]  
DELBENE JE, TO BE PUBLISHED
[7]   SCF MO LCGO studies on hydrogen bonding. The water dimer [J].
Dierckssen, Geerd H. F. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (06) :373-375
[8]   WATER MOLECULE INTERACTIONS [J].
HANKINS, D ;
MOSKOWITZ, JW ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4544-+
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[10]   THEORY OF HYDROGEN BOND - ELECTRONIC STRUCTURE AND PROPERTIES OF WATER DIMER [J].
KOLLMAN, PA ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) :3286-&