QUANTUM-MECHANICAL CALCULATIONS OF DEFECT ENERGIES

被引：11

作者：

HARKER, AH

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1989年 / 85卷

关键词：

D O I：

10.1039/f29898500471

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：471 / 483

页数：13

共 117 条

[1] ORBITAL THEORIES OF ELECTRONIC STRUCTURE [J].

ADAMS, WH .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (09) :2009-&

[2]

ADAMS WH, 1961, J CHEM PHYS, V34, P84

[3] CALCULATED LATTICE AND DYNAMIC PROPERTIES AND DEFECT CHEMISTRY OF TERNARY AND QUATERNARY CUPRATES RELATED TO HIGH-TC SUPERCONDUCTIVITY [J].

ALLAN, NL ;

MACKRODT, WC .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1989, 85 :385-405

[4]

AMOS RD, UNPUB CAMBRIDGE ANAL

[5]

[Anonymous], 1983, QUANTUM CHEM

[6]

ATOPIOL S, 1976, C003077105 NEW YORK

[7]

BACHLET GB, 1982, PHYS REV B, V28, P3465

[8] AN ABINITIO METHOD FOR PERFORMING VALENCE-ELECTRON-ONLY CALCULATIONS [J].

BALINTKURTI, GG ;

LEASURE, SC ;

MARTIN, TP .

CHEMICAL PHYSICS LETTERS, 1981, 81 (02) :297-302

[9] GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306

[10] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311

← 1 2 3 4 5 6 7 8 9 10 →