STRUCTURE PREDICTION OF TRANSITION-METAL OXIDES USING ENERGY-MINIMIZATION TECHNIQUES

被引：92

作者：

CATLOW, CRA ^{[1
]}

CORMACK, AN ^{[1
]}

THEOBALD, F ^{[1
]}

机构：

[1] FAC SCI BESANCON,DEPT CHIM,F-25030 BESANCON,FRANCE

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1984年 / 40卷 / JUN期

关键词：

D O I：

10.1107/S010876818400197X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：195 / 200

页数：6

共 25 条

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ANDERSSON, S
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[2] STRUCTURES OF NA2TI6O13 AND RB2TI6O13 AND ALKALI METAL TITANATES
ANDERSSON, S
WADSLEY, AD
[J]. ACTA CRYSTALLOGRAPHICA, 1962, 15 (03): : 194 - &
[3] Born M., 1932, Z PHYS, V75, P1, DOI [DOI 10.1007/BF01340511, 10.1007/BF01340511]
[4] BUSING WR, 1970, T AM CRYSTALLOGR ASS, V0006
[5] CALCULATIONS OF DEFECT CLUSTERING IN FE1-XO
CATLOW, CRA
FENDER, BEF
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1975, 8 (20): : 3267 - 3279
[6] NONSTOICHIOMETRY AND DIELECTRIC PROPERTIES
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JAMES, R
[J]. NATURE, 1978, 272 (5654) : 603 - 605
[7] CATLOW CRA, 1978, UKAEA AEREM2936 UK A
[8] CATLOW CRA, 1982, LECTURE NOTES PHYSIC, V166
[9] CATLOW CRA, 1984, UNPUB
[10] CATLOW CRA, 1982, CHEM PHYSICS SOLIDS, V8, P108