SOME COMMENTS ON PARAMETER CHOICES FOR SCMO CALCULATIONS ON 5 MEMBERED HETEROATOMIC PI-ELECTRON SYSTEMS

被引:7
作者
FLURRY, RL
BELL, JJ
机构
来源
THEORETICA CHIMICA ACTA | 1968年 / 10卷 / 01期
关键词
D O I
10.1007/BF00529038
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:1 / &
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[1]   THE VARIABLE ELECTRONEGATIVITY METHOD .2. PYRROLE [J].
BROWN, RD ;
HEFFERNAN, ML .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1959, 12 (03) :319-329
[2]   A THEORETICAL STUDY OF THE CHEMISTRY OF FURAN, PYRROLE, BENZOFURAN, INDOLE, DIBENZOFURAN, AND CARBAZOLE [J].
BROWN, RD ;
COLLER, BAW .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1959, 12 (02) :152-165
[3]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION [J].
CLEMENTI, E ;
CLEMENTI, H ;
DAVIS, DR .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4725-&
[4]  
Coulson CA, 1940, P CAMB PHILOS SOC, V36, P193
[5]   SELF CONSISTENT FIELD MOLECULAR ORBITAL CALCULATION FOR PYRROLE [J].
DAHL, JP ;
HANSEN, AE .
THEORETICA CHIMICA ACTA, 1963, 1 (03) :199-205
[8]   INCLUSION OF NON-NEAREST NEIGHBOR BETA TERMS IN PARISER-PARR-POPLE TYPE SCMO CALCULATIONS .2. HETEROATOMIC SYSTEMS [J].
FLURRY, RL ;
STOUT, EW ;
BELL, JJ .
THEORETICA CHIMICA ACTA, 1967, 8 (03) :203-&
[9]  
Goeppert-Mayer M, 1938, J CHEM PHYS, V6, P645, DOI 10.1063/1.1750138
[10]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&