HEATS OF REACTION FROM HARTREE-FOCK ENERGIES OF CLOSED-SHELL MOLECULES

被引:53
作者
SNYDER, LC
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关键词
D O I
10.1063/1.1841264
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:3602 / &
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共 34 条
[1]   PAIR CORRELATION ENERGIES [J].
ALLEN, LC ;
CLEMENTI, E ;
GLADNEY, HM .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :465-&
[2]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].
CADE, PE ;
SALES, KD ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&
[3]  
CADE PE, TO BE PUBLISHED
[4]   CORRELATION ENERGY IN CH4 MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) :487-&
[5]   DISSOCIATION ENERGY COMPUTATIONS IN DIATOMIC MOLECULES - AN EXAMPLE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2780-&
[6]   CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&
[7]  
CSIZMADIA IG, 40 MIT TECH NOT
[8]  
CSIZMADIA IG, 36 MIT TECH NOT
[9]   EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&
[10]  
Gaydon A.G., 1953, DISSOCIATION ENERGIE