Ab-initio molecular dynamics studies of a Ga13 cluster

被引:0
|
作者
Acad Sinica, Hefei, China [1 ]
机构
来源
Solid State Commun | 1600年 / 9卷 / 735-739期
关键词
Compendex;
D O I
暂无
中图分类号
学科分类号
摘要
Doping (additives) - Electronic properties - Electronic structure - Molecular dynamics - Order disorder transitions - Phase equilibria
引用
收藏
相关论文
共 50 条
  • [1] AB-INITIO MOLECULAR-DYNAMICS STUDIES OF A GA-13 CLUSTER
    GONG, XG
    ZHENG, QQ
    HAN, RS
    [J]. SOLID STATE COMMUNICATIONS, 1995, 94 (09) : 735 - 739
  • [2] An introduction to ab-initio molecular dynamics schemes
    Sandre, E
    Pasturel, A
    [J]. MOLECULAR SIMULATION, 1997, 20 (1-2) : 63 - 77
  • [3] Molecular reaction modeling from ab-initio molecular dynamics
    IBM Research Division, Zurich Research Laboratory, CH-8803 Rüschlikon, Switzerland
    不详
    [J]. ACS Symp Ser, (88-99):
  • [4] Ab-initio molecular dynamics simulation of water clusters
    Ikeshoji, T
    Aihara, T
    Ohno, K
    Kawazoe, Y
    [J]. SCIENCE REPORTS OF THE RESEARCH INSTITUTES TOHOKU UNIVERSITY SERIES A-PHYSICS CHEMISTRY AND METALLURGY, 1996, 41 (02): : 175 - 182
  • [5] All-electron ab-initio molecular dynamics
    Krack, M
    Parrinello, M
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (10) : 2105 - 2112
  • [6] ROLE AND PERSPECTIVES OF AB-INITIO MOLECULAR DYNAMICS IN CRYSTALLOGRAPHY
    Parrinello, Michele
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1999, 55 : 6 - 6
  • [7] AB-INITIO MOLECULAR-DYNAMICS WITH EXCITED ELECTRONS
    ALAVI, A
    KOHANOFF, J
    PARRINELLO, M
    FRENKEL, D
    [J]. PHYSICAL REVIEW LETTERS, 1994, 73 (19) : 2599 - 2602
  • [8] Ab-Initio Molecular Dynamics Simulation of Graphene Sheet
    Kolev, S.
    Balchev, I.
    Cvetkov, K.
    Tinchev, S.
    Milenov, T.
    [J]. INERA WORKSHOP 2016: MEMBRANE AND LIQUID CRYSTAL NANOSTRUCTURES (MELINA 2016), 2017, 780
  • [9] Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases
    Frank, Irmgard
    Nadimi, Ebrahim
    [J]. ENERGIES, 2021, 14 (16)
  • [10] AB-INITIO MOLECULAR-DYNAMICS IN ADAPTIVE COORDINATES
    GYGI, F
    [J]. PHYSICAL REVIEW B, 1995, 51 (16) : 11190 - 11193