SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON PI-ELECTRON SYSTEMS .3. SIGMA-ELECTRONS IN BORAZINE

被引:17
作者
DAVIES, DW
机构
来源
TRANSACTIONS OF THE FARADAY SOCIETY | 1968年 / 64卷 / 551P期
关键词
D O I
10.1039/tf9686402881
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:2881 / &
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共 16 条
[1]   LCAO-MO CALCULATIONS ON BORON COMPOUNDS .I. LCAO-MO-SCF CALCULATIONS ON BORAZINES [J].
CHALVET, O ;
DAUDEL, R ;
KAUFMAN, JJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (03) :399-&
[2]   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-&
[3]  
CLEMENTI E, 1967, J CHEM PHYS, V46, P4737, DOI 10.1063/1.1840628
[5]  
DAVIES DB, TO BE PUBLISHED
[7]   DIPOLE MOMENTS AND 14N QUADRUPOLE COUPLING CONSTANTS IN SOME HETEROCYCLIC COMPOUNDS - ALL VALENCY ELECTRON CALCULATIONS [J].
DAVIES, DW ;
MACKRODT, WC .
CHEMICAL COMMUNICATIONS, 1967, (23) :1226-&
[8]   SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON PI-ELECTRON SYSTEMS .1. THE ELECTRONIC SPECTRUM OF BORAZINE [J].
DAVIES, DW .
TRANSACTIONS OF THE FARADAY SOCIETY, 1960, 56 (12) :1713-1718
[9]   CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .I. VIRTUAL-ORBITAL APPROXIMATION TO EXCITED STATES [J].
KROTO, HW ;
SANTRY, DP .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :792-&
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL CALCULATIONS ON BORAZINES [J].
PERKINS, PG ;
WALL, DH .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1966, (03) :235-&