STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL

被引:80
作者
CLEMENTI, E
POPKIE, H
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D O I
10.1063/1.1678158
中图分类号
O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
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页码:4870 / &
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共 48 条
[1]  
Bichowsky F.R., 1936, THERMOCHEMISTRY CHEM
[2]  
BRUECKNER KA, 1967, PHYS REV, V165, P18
[3]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[4]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[5]   STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .15. COMMENTS ON MOLECULAR-ORBITAL VALENCY STATE AND ON MOLECULAR-ORBITAL ENERGIES [J].
CLEMENTI, E ;
ROUTH, A .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (03) :525-&
[6]   STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .16. ANALYSIS OF FORMATION OF METHANE MOLECULE IN HARTREE-FOCK MODEL [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (12) :4057-&
[8]  
CLEMENTI E, 1970, CHEMISTRY CYANO GROU, pCH1
[9]  
CLEMENTI E, 1969, INT J QUANTUM CHEM, V3, P179
[10]  
CLEMENTI E, 1970, CHEMISTRY CYANO GROU, P27