TCNE-BENZENE COMPLEX - A CNDO APPROACH

被引:56
作者
CHESNUT, DB
WORMER, PES
机构
来源
THEORETICA CHIMICA ACTA | 1971年 / 20卷 / 03期
关键词
D O I
10.1007/BF00528551
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 ;
摘要
引用
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页码:250 / &
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共 24 条
[1]  
Bekoe D. A., 1960, Z KRISTALLOGR, V113, P1
[2]  
BRIEGLEB G, 1961, Z PHYSIK CHEM FRANKF, V30, P334
[3]   APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS [J].
BROWN, RD ;
ROBY, KR .
THEORETICA CHIMICA ACTA, 1970, 16 (03) :175-+
[4]   ORTHOGONALIZATION PROCEDURES AND THE LOCALIZATION OF WANNIER FUNCTIONS [J].
CARLSON, BC ;
KELLER, JM .
PHYSICAL REVIEW, 1957, 105 (01) :102-103
[5]   GEOMETRIES OF MOLECULAR COMPLEXES - AN EXTENDED HUCKEL APPROACH [J].
CHESNUT, DB ;
MOSELEY, RW .
THEORETICA CHIMICA ACTA, 1969, 13 (03) :230-&
[6]  
Coulson CA, 1939, PROC R SOC LON SER-A, V169, P0413, DOI 10.1098/rspa.1939.0006
[7]  
DEWAR MJS, 1966, TETRAHEDRON S7, P97
[8]   STUDIES IN MOLECULAR STRUCTURE .3. POPULATIONS ANALYSES FOR SELECTED FIRST-ROW DIATOMIC MOLECULES [J].
FRAGA, S ;
RANSIL, BJ .
JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (03) :727-&
[9]   ALL-VALENCE-ELECTRON CALCULATIONS ON MOLECULAR PI COMPLEXES [J].
HERNDON, WC ;
FEUER, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (21) :5914-&
[10]   SEMI-EMPIRICAL ALL-VALENCE-ELECTRON SCF CALCULATIONS OF ACIDITIES OF CYCLOALKANES [J].
JESAITIS, RG ;
STREITWI.A .
THEORETICA CHIMICA ACTA, 1970, 17 (03) :165-&