ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS BETWEEN TRANSITION-METAL IONS

被引：149

作者：

YAMAGUCHI, K

TSUNEKAWA, T

TOYODA, Y

FUENO, T

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 143卷 / 04期

关键词：

D O I：

10.1016/0009-2614(88)87049-0

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：371 / 376

页数：6

共 24 条

[1] ELECTRONIC-STRUCTURE CALCULATIONS ON ACTIVE-SITE MODELS FOR 4-FE, 4-S IRON SULFUR PROTEINS [J].

AIZMAN, A ;

CASE, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (12) :3269-3279

[2] ELECTRON-SPIN-RESONANCE OF MN-2 AND MN-5 MOLECULES IN RARE-GAS MATRICES [J].

BAUMANN, CA ;

VANZEE, RJ ;

BHAT, SV ;

WELTNER, W .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (01) :190-199

[3]

Cotton F. A., 1982, MULTIPLE BONDS METAL

[4] ABINITIO DIRECT CALCULATION OF THE SINGLET-TRIPLET SEPARATION IN CUPRIC ACETATE HYDRATE DIMER [J].

DELOTH, P ;

CASSOUX, P ;

DAUDEY, JP ;

MALRIEU, JP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (14) :4007-4016

[5]

Hay J.P., 1975, J AM CHEM SOC, V97, P4884

[6] SYNTHETIC APPROACHES TO ACTIVE-SITES OF IRON-SULFUR PROTEINS [J].

HOLM, RH .

ACCOUNTS OF CHEMICAL RESEARCH, 1977, 10 (12) :427-434

[7] EXCHANGE INTERACTIONS BETWEEN ORBITALLY DEGENERATE IONS - CASE OF 2 2EG IONS [J].

KAHN, O .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 :862-869

[8]

KELLER HJ, 1980, LOW DIMENSIONAL COOP

[9] BINUCLEAR OXYGEN CARRIERS - HEMERYTHRIN [J].

KLOTZ, IM ;

KURTZ, DM .

ACCOUNTS OF CHEMICAL RESEARCH, 1984, 17 (01) :16-22

[10] THE SUPEREXCHANGE INTERACTION BETWEEN CR(+3) PAIR IN CHROMIUM BI-NUCLEAR COMPLEX IONS [J].

KOBAYASHI, H ;

HASEDA, T ;

KANDA, E ;

MORI, M .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1960, 15 (09) :1646-1651

← 1 2 3 →