MOLECULAR CALCULATIONS .3. A MODIFICATION OF THE NAIVE SEMIEMPIRICAL MO METHOD

被引:31
作者
GOODMAN, L
SHULL, H
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D O I
10.1063/1.1740559
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:33 / 43
页数:11
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共 28 条
[1]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .6. [J].
CHIRGWIN, BH ;
COULSON, CA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 201 (1065) :196-209
[2]   ALKYL SHIFTS IN ABSORPTION SPECTRA OF AZULENE AND OTHER AROMATIC MOLECULES [J].
COULSON, CA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1952, 65 (395) :933-945
[3]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .1. GENERAL THEORY [J].
COULSON, CA ;
LONGUETHIGGINS, HC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 191 (1024) :39-60
[4]  
DEWAR MJS, 1949, P CAMB PHILOS SOC, V45, P638
[5]  
FISCHER I, 1952, ARK FYS, V5, P377
[6]  
Goeppert-Mayer M, 1938, J CHEM PHYS, V6, P645, DOI 10.1063/1.1750138
[7]  
GOODMAN L, UNPUB
[8]   ELECTRON LEVELS IN POLYATOMIC MOLECULES HAVING RESONATING DOUBLE BONDS [J].
HERZFELD, KF .
CHEMICAL REVIEWS, 1947, 41 (02) :233-256
[10]   HYPSOCHROMIC SHIFTS IN METHYLATED HYDROCARBONS [J].
LONGUETHIGGINS, HC ;
SOWDEN, RG .
JOURNAL OF THE CHEMICAL SOCIETY, 1952, (APR) :1404-1408