ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS

被引:40
作者
ENGLAND, W
GORDON, MS
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D O I
10.1021/ja01052a064
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:6864 / &
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[1]   STUDY OF SEPARATED ELECTRON PAIRS IN LIH MOLECULE [J].
EBBING, DD ;
HENDERSON, RC .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) :2225-+
[2]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2 [J].
EDMISTON, C ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S097-+
[3]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&
[4]  
Edmiston C., 1966, QUANTUM THEORY ATOMS, P263
[5]   LOCALIZED ORBITALS FOR NH3 C2H4 AND C2H2 [J].
KALDOR, U .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1981-&
[6]   INTERACTION OF A METHYL GROUP WITH A TRIPLE BOND . MOLECULAR SELF-CONSISTENT FIELD CALCULATION ON METHYLACETYLENE [J].
NEWTON, MD ;
LIPSCOMB, WN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4261-&
[7]  
NEWTON MD, PRIVATE COMMUNICATIO
[8]  
NEWTON MG, TO BE PUBLISHED
[9]   APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
BEVERIDGE, DL ;
DOBOSH, PA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (06) :2026-+
[10]   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-&