THE BAND-STRUCTURE OF ONE-DIMENSIONAL (TETRAZAPORPHYRINATO)COBALT(II) - A SEMIEMPIRICAL SELF-CONSISTENT FIELD CRYSTAL ORBITAL ANALYSIS

被引：10

作者：

BOHM, MC ^{[1
]}

RAMIREZ, R ^{[1
]}

OLES, AM ^{[1
]}

机构：

[1] MAX PLANCK INST FESTKORPERFORSCH, D-7000 STUTTGART 80, FED REP GER

来源：

CHEMICAL PHYSICS | 1987年 / 117卷 / 03期

关键词：

D O I：

10.1016/0301-0104(87)80191-X

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：

引用

页码：405 / 413

页数：9

共 51 条

[1] ATOMIC CENTRAL-FIELD MODELS FOR OPEN SHELLS WITH APPLICATION TO TRANSITION-METALS [J].

ABDULNUR, SF ;

THULSTRUP, PW ;

LINDERBERG, J ;

OHRN, U .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1972, 6 (03) :889-+

[2]

ALCACER L, 1980, PHYSICS CHEM LOW DIM

[3] UV PHOTOELECTRON VALENCE BAND STUDIES ON PHTHALOCYANINE COMPOUNDS [J].

BATTYE, FL ;

GOLDMANN, A ;

KASPER, L .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 80 (02) :425-432

[4] ELECTRONIC-STRUCTURE OF FREE-BASE AND TRANSITION-METAL TETRAAZAPORPHYRINS [J].

BERKOVITCHYELLIN, Z ;

ELLIS, DE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (20) :6066-6073

[5] PHOTOELECTRON-SPECTROSCOPY OF PHTHALOCYANINE VAPORS [J].

BERKOWITZ, J .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) :2819-2828

[6] CALCULATION OF IONIZATION-POTENTIALS BY MANY-BODY DIAGRAMMATIC RSPT FOR OPEN-SHELL SYSTEMS WITH ONE UNPAIRED ELECTRON [J].

BISKUPIC, S ;

VALKO, L ;

KVASNICKA, V .

MOLECULAR PHYSICS, 1978, 36 (06) :1709-1719

[7]

BOHM MC, 1984, Z NATURFORSCH A, V39, P807

[8] SYMMETRY VIOLATIONS IN PARTIALLY OXIDIZED ONE-DIMENSIONAL (1D) TRANSITION-METAL POLYMERS - THE NI(CN)4(2-) SYSTEM [J].

BOHM, MC .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (02) :855-864

[9] THE BAND-STRUCTURE OF NI(H5C3B2) - AN EXAMPLE FOR ENERGETIC STABILIZATION DUE TO DIMERIZATION [J].

BOHM, MC ;

RAMIREZ, R .

CHEMICAL PHYSICS, 1986, 106 (02) :213-224

[10] A CNDO INDO CRYSTAL ORBITAL MODEL FOR TRANSITION-METAL POLYMERS OF THE 3D SERIES - BASIS EQUATIONS [J].

BOHM, MC .

THEORETICA CHIMICA ACTA, 1983, 62 (04) :351-372

← 1 2 3 4 5 6 →