ABINITIO CALCULATIONS OF THE PI-ELECTRON STRUCTURES OF ANILINE BY THE VALENCE-BOND METHOD

被引：2
作者：
TAKEKIYO, S
机构：
来源：
MOLECULAR PHYSICS | 1988年 / 63卷 / 03期
关键词：
D O I：
10.1080/00268978800100291
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：
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页码：407 / 417
页数：11
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共 28 条
[1]  
Bene J. D., 1968, J CHEM PHYS, V49, P1221
[2]   A MOLECULAR-ORBITAL STUDY OF NITROGEN INVERSION IN ANILINE WITH EXTENSIVE GEOMETRY OPTIMIZATION [J].
BOCK, CW ;
GEORGE, P ;
TRACHTMAN, M .
THEORETICA CHIMICA ACTA, 1986, 69 (03) :235-245
[3]   A SEMI-EMPIRICAL LCAO-SCF MOLECULAR ORBITAL TREATMENT OF SOME SUBSTITUTED BENZENES [J].
CLARK, DT ;
EMSLEY, JW .
MOLECULAR PHYSICS, 1967, 12 (04) :365-&
[4]  
FISCHER I, 1952, ARK FYS, V5, P377
[5]  
Goeppert-Mayer M, 1938, J CHEM PHYS, V6, P645, DOI 10.1063/1.1750138
[6]   AB-INITIO CONFIGURATION INTERACTION STUDIES OF PI-ELECTRON STATES OF BENZENE [J].
HAY, PJ ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2865-2877
[7]   ELECTRONIC STRUCTURES OF UNSATURATED MOLECULES CONTAINING HETERO-ATOMS - CONFIGURATION INTERACTION TREATMENT INCLUDING DOUBLY EXCITED CONFIGURATIONS [J].
HIROTA, F ;
NAGAKURA, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1970, 43 (04) :1010-+
[8]   PHOSPHORESCENCE OF SUBSTITUTED BENZENES AND THEIR LOWEST TRIPLET STATES [J].
KIMURA, K ;
TSUBOMUR.H .
MOLECULAR PHYSICS, 1966, 11 (04) :349-&
[9]   VACUUM ULTRA-VIOLET ABSORPTION SPECTRA OF VARIOUS MONO-SUBSTITUTED BENZENES [J].
KIMURA, K ;
NAGAKURA, S .
MOLECULAR PHYSICS, 1965, 9 (02) :117-&
[10]   THE VACUUM ULTRAVIOLET ABSORPTION SPECTRA OF ANILINE AND SOME OF ITS N-DERIVATIVES [J].
KIMURA, K ;
TSUBOMURA, H ;
NAGAKURA, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1964, 37 (09) :1336-1346
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