DIRECT THEORETICAL ABINITIO CALCULATIONS IN EXCHANGE COUPLED COPPER (II) DIMERS - INFLUENCE OF STRUCTURAL AND CHEMICAL-PARAMETERS IN MODELED COPPER DIMERS

被引：94
作者：
ASTHEIMER, H
HAASE, W
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 03期
关键词：
D O I：
10.1063/1.451232
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
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页码：1427 / 1432
页数：6
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共 37 条
[1]   NEW APPROACH TO THE THEORY OF SUPEREXCHANGE INTERACTIONS [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1959, 115 (01) :2-13
[2]   ANTIFERROMAGNETISM - THEORY OF SUPEREXCHANGE INTERACTION [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1950, 79 (02) :350-356
[3]  
BARTHELAT JC, 1978, GAZZ CHIM ITAL, V108, P255
[4]   ANGULAR OVERLAP INTERPRETATION OF MAGNETIC-PROPERTIES OF COPPER(II) DIMERS [J].
BENCINI, A ;
GATTESCHI, D .
INORGANICA CHIMICA ACTA, 1978, 31 (01) :11-18
[5]   DINUCLEAR COPPER(II) CRYPTATES OF MACROCYCLIC LIGANDS - SYNTHESIS, CRYSTAL-STRUCTURE, AND MAGNETIC-PROPERTIES - MECHANISM OF THE EXCHANGE INTERACTION THROUGH BRIDGING AZIDO LIGANDS [J].
COMARMOND, J ;
PLUMERE, P ;
LEHN, JM ;
AGNUS, Y ;
LOUIS, R ;
WEISS, R ;
KAHN, O ;
MORGENSTERNBADARAU, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (23) :6330-6340
[6]   RELATIONSHIP BETWEEN SINGLET-TRIPLET SPLITTING AND CU-O-CU BRIDGE ANGLE IN HYDROXO-BRIDGED COPPER DIMERS [J].
CRAWFORD, VH ;
RICHARDSON, HW ;
WASSON, JR ;
HODGSON, DJ ;
HATFIELD, WE .
INORGANIC CHEMISTRY, 1976, 15 (09) :2107-2110
[7]  
DAUDEY JP, 1984, MAGNETO STRUCTURAL C
[8]   SUPEREXCHANGE IN BIS(MU-HYDROXO)-BRIDGED CHROMIUM(III) DIMERS - OPTICAL SPECTROSCOPIC STUDY OF SINGLY EXCITED 2EG4A2G PAIR STATES [J].
DECURTINS, S ;
GUDEL, HU .
INORGANIC CHEMISTRY, 1982, 21 (10) :3598-3606
[9]   DIRECT THEORETICAL ABINITIO CALCULATIONS IN EXCHANGE COUPLED COPPER(II) DIMERS - INFLUENCE OF THE CHOICE OF THE ATOMIC BASIS SET ON THE SINGLET TRIPLET SPLITTING IN MODELED AND REAL COPPER DIMERS [J].
DELOTH, P ;
DAUDEY, JP ;
ASTHEIMER, H ;
WALZ, L ;
HAASE, W .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (11) :5048-5052
[10]   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
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