AN APPLICATION OF MNDO CALCULATION TO BORATE POLYHEDRA

被引：22

作者：

UCHIDA, N

MAEKAWA, T

YOKOKAWA, T

机构：

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1985年 / 74卷 / 01期

关键词：

D O I：

10.1016/0022-3093(85)90397-7

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

引用

页码：25 / 36

页数：12

共 23 条

[1] TRANSITION-METAL IONS IN BORATE GLASSES - INVESTIGATION OF ELECTRONIC-STRUCTURE OF LINEAR POLYBORATES, BORATE CLUSTERS AND TRANSITION-METALS IN BORATES [J].

ARMSTRONG, DR ;

FORTUNE, R ;

PERKINS, PG .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1977, 24 (03) :313-338

[2]

Bray P. J., 1963, PHYS CHEM GLASSES, V4, P37

[3] B-O BOND LENGTHS IN ORTHORHOMBIC METABORIC ACID [J].

COULSON, CA .

ACTA CRYSTALLOGRAPHICA, 1964, 17 (08) :1086-&

[4] B-O BOND LENGTHS IN BORON-OXYGEN COMPOUNDS [J].

COULSON, CA ;

DINGLE, TW .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 :153-&

[5] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917

[6] GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON [J].

DEWAR, MJS ;

MCKEE, ML .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5231-5241

[7] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[8]

GIBBS GV, 1982, AM MINERAL, V67, P421

[9]

GUEST MF, 1969, J CHEM THERMODYN, V1, P345

[10] A THEORETICAL-STUDY OF BOND DISTANCES, X-RAY-SPECTRA AND ELECTRON-DENSITY DISTRIBUTIONS IN BORATE POLYHEDRA [J].

GUPTA, A ;

TOSSELL, JA .

PHYSICS AND CHEMISTRY OF MINERALS, 1981, 7 (04) :159-164

← 1 2 3 →