ELECTRONIC-STRUCTURE AND RELATED PROPERTIES OF FERROCYANIDE ION CALCULATED BY SCF XALPHA-SCATTERED WAVE METHOD

被引：18

作者：

GUENZBURGER, D

MAFFEO, B

DESIQUEIRA, ML

机构：

[1] CTR BRASILEIRO PESQUISAS FIS, RIO DE JANEIRO, BRAZIL

[2] PONTIFICIA UNIV CATOLICA RIO DE JANEIRO, DEPT FIS, 20000 RIO DE JANEIRO, BRAZIL

[3] UNIV FED MINAS GERAIS, DEPT FIS, 30000 BELO HORIZONTE, BRAZIL

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1977年 / 38卷 / 01期

关键词：

D O I：

10.1016/0022-3697(77)90142-1

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：35 / 39

页数：5

共 24 条

[1] ELECTRONIC-STRUCTURE, OPTICAL-SPECTRA AND CONTACT TERMS OF COF-4(-)6 CLUSTER IN LIF [J].

ALBUQUERQUE, EL ;

MAFFEO, B ;

BRANDI, HS ;

SIQUEIRA, MLD .

SOLID STATE COMMUNICATIONS, 1976, 18 (9-10) :1381-1384

[2] ELECTRONIC STRUCTURES OF HEXACYANOMETALATE COMPLEXES [J].

ALEXANDER, JJ ;

GRAY, HB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (16) :4260-+

[3]

ALEXANDER JJ, 1967, COORDIN CHEM REV, V2, P29

[4] MOLECULAR ORBITAL CALCULATIONS ON TRANSITION METAL COMPOUNDS [J].

DAVIES, DR ;

WEBB, GA .

COORDINATION CHEMISTRY REVIEWS, 1971, 6 (2-3) :95-&

[5] CALIBRATION OF ISOMER-SHIFT FOR FE-57 [J].

DUFF, KJ .

PHYSICAL REVIEW B, 1974, 9 (01) :66-72

[6] ELECTRONIC STRUCTURES OF OCTAHEDRAL METAL COMPLEXES .1. METAL HEXACARBONYLS AND HEXACYANIDES [J].

GRAY, HB ;

BEACH, NA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (19) :2922-&

[7]

HERBER RH, 1968, CHEMICAL APPLICATION

[8]

ITERRANTE LV, 1974, CHEM PHYS LETT, V26, P225

[9]

Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143

[10] CHEMICAL BONDING OF A MOLECULAR TRANSITION-METAL ION IN A CRYSTALLINE ENVIRONMENT [J].

JOHNSON, KH ;

SMITH, FC .

PHYSICAL REVIEW B, 1972, 5 (03) :831-&

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