CALCULATION OF EQUILIBRIUM BOND LENGTHS BY CNDO METHOD

被引:67
作者
SEGAL, GA
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D O I
10.1063/1.1712197
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:1876 / &
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[1]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].
POPLE, JA ;
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[2]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+
[3]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&