A CNDO INDO CRYSTAL ORBITAL MODEL FOR TRANSITION-METAL POLYMERS OF THE 3D SERIES - BASIS EQUATIONS

被引:63
作者
BOHM, MC
机构
来源
THEORETICA CHIMICA ACTA | 1983年 / 62卷 / 04期
关键词
D O I
10.1007/BF00547893
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:351 / 372
页数:22
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共 106 条
[31]   ATOMIC SHIELDING PARAMETERS [J].
BURNS, G .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1521-&
[32]   ELECTRONIC BAND STRUCTURES AND ELECTRONIC-PROPERTIES OF SOME SUBSTITUTED LINEAR POLYENES [J].
CETINA, EA ;
PERKINS, PG .
THEORETICA CHIMICA ACTA, 1981, 58 (04) :257-283
[33]  
Condon E. U., 1970, THEORY ATOMIC SPECTR
[34]   MOLECULAR APPLICATIONS OF A METHOD OF SCREENED EXCHANGE [J].
COOPER, IL ;
LINDERBERG, J .
MOLECULAR PHYSICS, 1973, 25 (02) :265-279
[35]   ORGANIC SOLID-STATE .7. SEMICONDUCTING POLYMERS - MIXED VALENCE FERROCENE-FERRICENIUM POLYMERS [J].
COWAN, DO ;
SASAKI, Y ;
PARK, J ;
PITTMAN, CU ;
MUKHERJE.TK ;
DIAMOND, NA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :5110-&
[36]   RATIONAL SYNTHESIS OF UNIDIMENSIONAL MIXED-VALENCE SOLIDS - STRUCTURAL, SPECTRAL, AND ELECTRICAL STUDIES OF CHARGE-DISTRIBUTION AND TRANSPORT IN PARTIALLY OXIDIZED NICKEL AND PALLADIUM BIS-DIPHENYLGLYOXIMATES [J].
COWIE, M ;
GLEIZES, A ;
GRYNKEWICH, GW ;
KALINA, DW ;
MCCLURE, MS ;
SCARINGE, RP ;
TEITELBAUM, RC ;
RUBY, SL ;
IBERS, JA ;
KANNEWURF, CR ;
MARKS, TJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (11) :2921-2936
[37]   SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J].
DELRE, G ;
LADIK, J ;
BICZO, G .
PHYSICAL REVIEW, 1967, 155 (03) :997-&
[38]   SPO (SPLIT P-ORBITAL) METHOD AND ITS APPLICATION TO ETHYLENE [J].
DEWAR, MJ ;
HOJVAT, NL .
JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) :1232-&
[39]   SP-O (SPLIT-P-ORBITAL) METHOD .2. FURTHER DEFINITION AND APPLICATION TO ACETYLENE [J].
DEWAR, MJ ;
HOJVAT, NL .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 264 (1318) :431-+
[40]   SPLIT P-ORBITAL (SPO) METHOD .3. RELATIONSHIP TO OTHER MO TREATMENTS AND APPLICATION TO BENZENE, BUTADIENE, AND NAPHTHALENE [J].
DEWAR, MJS ;
SABELLI, NL .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2310-&