ON THE PARAMETRIZATION OF SEMI-EMPIRICAL METHODS FOR IONIC-CRYSTALS

被引：6
|
作者：
MATOS, M [1 ]
MAFFEO, B [1 ]
ZERNER, MC [1 ]
机构：
[1] UNIV GUELPH,DEPT CHEM,GUELPH N1G 2W1,ONTARIO,CANADA
来源：
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1982年 / 15卷 / 36期
关键词：
D O I：
10.1088/0022-3719/15/36/016
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
引用
收藏
页码：7351 / 7354
页数：4
相关论文
共 50 条
  • [1] MODIFICATION OF THE INDO CALCULATION SCHEME AND PARAMETRIZATION FOR IONIC-CRYSTALS
    STEFANOVICH, E
    SHIDLOVSKAYA, E
    SHLUGER, A
    ZAKHAROV, M
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 1990, 160 (02): : 529 - 540
  • [2] SEMI-EMPIRICAL METHODS FOR BEARINGS DIAGNOSIS
    Culita, Janetta
    Stefanoiu, Dan
    Ionescu, Florin
    UNIVERSITY POLITEHNICA OF BUCHAREST SCIENTIFIC BULLETIN SERIES C-ELECTRICAL ENGINEERING AND COMPUTER SCIENCE, 2008, 70 (04): : 61 - 74
  • [3] Semi-empirical electronic structure methods
    Murrell, JN
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 424 (1-2): : 93 - 99
  • [4] EMPIRICAL RELATION ON MELTING TEMPERATURE OF SOME IONIC-CRYSTALS
    TATENO, J
    SOLID STATE COMMUNICATIONS, 1972, 10 (01) : 61 - &
  • [5] A GENERALIZED BORN-MAYER PARAMETRIZATION OF THE LATTICE ENERGY IN ORTHORHOMBIC IONIC-CRYSTALS
    CATTI, M
    ACTA CRYSTALLOGRAPHICA SECTION A, 1981, 37 (JAN): : 72 - 76
  • [6] Semi-empirical methods to predict the physical properties of ionic liquids: An overview of recent developments
    Krossing, Ingo
    Slattery, John M.
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2006, 220 (10-11): : 1343 - 1359
  • [7] ELEMENTARY METHODS FOR THE EVALUATION OF ELECTROSTATIC POTENTIALS IN IONIC-CRYSTALS
    COKER, H
    JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (14): : 2512 - 2525
  • [8] A COMPARISON OF METHODS FOR CALCULATING DEFECT ENTROPIES IN IONIC-CRYSTALS
    GILLAN, MJ
    HARDING, JH
    LESLIE, M
    JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (32): : 5465 - 5472
  • [9] A semi-empirical electrostatic potential in the studies of molecular crystals
    Yatsenko, AV
    Paseshnichenko, KA
    CHEMICAL PHYSICS, 2000, 262 (2-3) : 293 - 301
  • [10] Toward a transferable parametrization for carbon in a periodic semi-empirical molecular orbital scheme
    De Maria, L
    Peressi, M
    Baroni, S
    THEORETICAL CHEMISTRY ACCOUNTS, 1998, 100 (5-6) : 333 - 338
12345