ATOMIC PARAMETERS FOR SEMI-EMPIRICAL SCF-LCAO-MO CALCULATIONS

被引:234
作者
SICHEL, JM
WHITEHEA.MA
机构
来源
THEORETICA CHIMICA ACTA | 1967年 / 7卷 / 01期
关键词
D O I
10.1007/BF00537366
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:32 / &
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共 27 条
[1]   QUANTUM THEORY OF CONJUGATED SYSTEMS [J].
DEWAR, MJS .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :586-&
[2]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&
[3]   ELECTRONEGATIVITY .6. ORBITAL ELECTRONEGATIVITIES OF NEUTRAL ATOMS OF PERIODS 3 APERIODS 1 AND [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF PHYSICAL CHEMISTRY, 1963, 67 (07) :1501-&
[4]  
HINZE J, 1962, THESIS U CINCINNATI
[5]   PARISER AND PARR TYPE CALCULATIONS ON SATURATED HYDROCARBONS I [J].
KATAGIRI, S ;
SANDORFY, C .
THEORETICA CHIMICA ACTA, 1966, 4 (03) :203-+
[9]   ELECTRONIC STRUCTURE AND SPECTRA OF S-TETRAZINE [J].
MATAGA, N .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1958, 31 (04) :453-458
[10]  
MOORE CE, 1949, 467 NBS CIRC, V1