MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .2. DIMERS CONTAINING H2O2 AND H2O

被引:25
作者
DELBENE, JE
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10.1063/1.1676970
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 ;
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页码:4923 / &
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共 16 条
[1]   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-+
[2]  
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[3]  
DELBENE JE, 1971, J CHEM PHYS, V55, P4633, DOI 10.1063/1.1676800
[4]   SCF MO LCGO studies on hydrogen bonding. The water dimer [J].
Dierckssen, Geerd H. F. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (06) :373-375
[5]   WATER MOLECULE INTERACTIONS [J].
HANKINS, D ;
MOSKOWITZ, JW ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4544-+
[6]   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-+
[7]   INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL [J].
HUNT, RH ;
LEACOCK, RA ;
PETERS, CW ;
HECHT, KT .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) :1931-&
[8]   THEORY OF HYDROGEN BOND - ELECTRONIC STRUCTURE AND PROPERTIES OF WATER DIMER [J].
KOLLMAN, PA ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) :3286-&
[9]   THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER [J].
KOLLMAN, PA ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5085-&
[10]   NATURE OF HYDROGEN BOND - DIMERS INVOLVING ELECTRONEGATIVE ATOMS OF FIRST ROW [J].
KOLLMAN, PA ;
ALLEN, LC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (20) :4991-&