APPLICATION OF SELF-CONSISTENT HMO THEORY TO HETERO-CONJUGATED MOLECULES

被引:23
作者
KAKITANI, T
KAKITANI, H
机构
来源
THEORETICA CHIMICA ACTA | 1977年 / 46卷 / 04期
关键词
D O I
10.1007/BF00554512
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:259 / 275
页数:17
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共 88 条
[1]   A REINVESTIGATION OF STRUCTURE OF MONOMER AND DIMER FORMIC ACID BY GAS ELECTRON DIFFRACTION TECHNIQUE [J].
ALMENNINGEN, A ;
BASTIANSEN, O ;
MOTZFELDT, T .
ACTA CHEMICA SCANDINAVICA, 1969, 23 (08) :2848-+
[2]   MICROWAVE DETERMINATION OF THE STRUCTURE OF PYRROLE [J].
BAK, B ;
CHRISTENSEN, D ;
HANSEN, L ;
RASTRUPANDERSEN, J .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (04) :720-725
[3]   COMPLETE DETERMINATION OF THE STRUCTURE OF PYRIDINE BY MICROWAVE SPECTRA [J].
BAK, B ;
HANSENNYGAARD, L ;
RASTRUPANDERSEN, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1958, 2 (04) :361-368
[4]  
BAK B, 1955, DISCUSS FARADAY SOC, P30
[5]   CRYSTAL STRUCTURE OF CYTOSINE [J].
BARKER, DL ;
MARSH, RE .
ACTA CRYSTALLOGRAPHICA, 1964, 17 (12) :1581-&
[6]   CRYSTAL AND MOLECULAR STRUCTURE OF CANTHAXANTHIN [J].
BART, JCJ ;
MACGILLAVRY, CH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 :1587-+
[7]   DETERMINATION OF MOLECULAR-ORBITALS BY DIRECT MINIMIZATION OF GROUND-STATE ENERGY AND EXCITED-STATES OF MOLECULES [J].
BENARD, M ;
JULG, A .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (05) :945-950
[8]  
BERGMAN ED, 1969, JERUSALEM S, V1, P72
[9]   NITROGEN ANALOGS OF SESQUIFULVALENE .I. SYNTHESIS AND PROPERTIES [J].
BERSON, JA ;
EVLETH, EM ;
HAMLET, Z .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (13) :2887-&
[10]   GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306