CONTRIBUTION TO SYSTEMATIC DERIVATION OF SEMIEMPIRICAL SELF-CONSISTENT MOLECULAR-ORBITAL METHOD IN FRAME OF HARTREE-FOCK-ROOTHAAN THEORY

被引：0
作者：
GUSTAV, K
机构：
来源：
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG | 1977年 / 258卷 / 05期
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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：889 / 896
页数：8
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共 19 条
[1]   GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS [J].
BAIRD, NC ;
DEWAR, MJS .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1262-&
[2]   GROUND STATES OF SIGMA-BONDED MOLECULES .8. MINDO CALCULATIONS FOR SPECIES INVOLVED IN NITRATION BY ACETYL NITRATE [J].
BODOR, N ;
DEWAR, MJS .
TETRAHEDRON, 1969, 25 (24) :5777-&
[3]   GROUND STATES OF CONJUGATED MOLECULES .17. L.C.A.O. S.C.F. M.O. TREATMENT OF COMPOUNDS CONTAINING NITROGEN AND OXYGEN [J].
DEWAR, MJS ;
HARGET, AJ .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 315 (1523) :457-&
[4]   GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].
DEWAR, MJS ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+
[5]   GROUND STATES OF CONJUGATED MOLECULES .16. TREATMENT OF HYDROCARBONS BY L.C.A.O. S.C.F. M.O. [J].
DEWAR, MJS ;
HARGET, AJ .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 315 (1523) :443-&
[6]  
Gustav K., 1970, Acta Physica Polonica A, VA37, P497
[7]  
GUSTAV K, 1971, Z PHYS CHEM-LEIPZIG, V248, P171
[8]  
GUSTAV K, 1971, Z PHYS CHEM-LEIPZIG, V248, P45
[9]  
HOFFMANN HJ, 1974, J PRAKT CHEM, V316, P659
[10]  
Klopman G., 1970, FORTSCHR CHEM FORSCH, V15, P445
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