QUANTUM-CHEMICAL AND LATTICE-DEFECT HYBRID APPROACH TO CALCULATION OF DEFECTS IN METALS

被引:64
|
作者
MELIUS, CF
BISSON, CL
WILSON, WD
机构
来源
PHYSICAL REVIEW B | 1978年 / 18卷 / 04期
关键词
D O I
10.1103/PhysRevB.18.1647
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:1647 / 1657
页数:11
相关论文
共 50 条
  • [31] A quantum-chemical study of organophosphorus acids and their complexes with metals
    Rozen, AM
    Krupnov, BV
    ZHURNAL FIZICHESKOI KHIMII, 1996, 70 (08): : 1435 - 1439
  • [32] A QUANTUM-CHEMICAL CALCULATION OF CARBAMYLDICYANMETHANIDE, NITROSOCARBAMYLCYANMETHANIDE AND CARBAMYLCYANAMIDE IONS
    LAMPEKA, RD
    KUTS, VS
    SKOPENKO, VV
    DOPOVIDI AKADEMII NAUK UKRAINSKOI RSR SERIYA B-GEOLOGICHNI KHIMICHNI TA BIOLOGICHNI NAUKI, 1982, (07): : 48 - 51
  • [33] TO QUANTUM-CHEMICAL CALCULATION OF DIPOLE MOMENTS IN ORGANIC MOLECULES
    MEHLHORN, A
    CHEMICKE LISTY, 1967, 61 (01): : 32 - &
  • [34] Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy
    Puzzarini, Cristina
    Stanton, John F.
    Gauss, Juergen
    INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2010, 29 (02) : 273 - 367
  • [35] Quantum-chemical calculation of a spillover model on a graphite support
    Yu. A. Borisov
    Yu. A. Zolotarev
    E. V. Laskatelev
    N. F. Myasoedov
    Russian Chemical Bulletin, 1997, 46 : 407 - 409
  • [36] Quantum-chemical calculation of the electron affinity of atoms and radicals
    Miniakhmetov, I. A.
    Semenov, S. A.
    RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2011, 56 (04) : 597 - 599
  • [37] Quantum-chemical calculation of the electron affinity of atoms and radicals
    I. A. Miniakhmetov
    S. A. Semenov
    Russian Journal of Inorganic Chemistry, 2011, 56 : 597 - 599
  • [38] A Quantum-Chemical Study of Organophosphorus Acids and Their Complexes with Metals
    Rozen, A. M.
    Krupnov, B. V.
    Russian Journal of Physical Chemistry, 70 (08):
  • [39] ELECTRON THEORY OF CATALYSIS BY METALS - QUANTUM-CHEMICAL MODEL
    GLUSHKOV, AV
    RUSSIAN ELECTROCHEMISTRY, 1993, 29 (03): : 474 - 480
  • [40] Quantum-chemical calculation of a spillover model on a graphite support
    Borisov, YA
    Zolotarev, YA
    Laskatelev, EV
    Myasoedov, NF
    RUSSIAN CHEMICAL BULLETIN, 1997, 46 (03) : 407 - 409