First-principles simulations of organic compounds: solid CO2 under pressure

被引:0
|
作者
Inst Romand de Recherche Numerique, en Physique des Materiaux, Lausanne, Switzerland [1 ]
机构
来源
Comput Mater Sci | / 1-4卷 / 63-66期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
15
引用
收藏
相关论文
共 50 条
  • [31] First-Principles Simulations of an Aqueous CO/Pt(111) Interface
    Lan, Jinggang
    Hutter, Jurg
    Iannuzzi, Marcella
    JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 122 (42): : 24068 - 24076
  • [32] First-principles study of the new compounds CrGa2Sb2 and CrGaSb synthesized under high pressure
    Kulatov, E.
    Magnitskaya, M.
    Maksimov, E.
    Titov, A.
    Uspenskii, Yu.
    EPL, 2011, 96 (02)
  • [33] First-principles study of structural and mechanical properties of AgB2 and AuB2 compounds under pressure
    Ozisik, H. B.
    Colakoglu, K.
    Deligoz, E.
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 51 (01) : 83 - 90
  • [34] First-principles thermoelasticity of bcc iron under pressure
    Sha, Xianwei
    Cohen, R. E.
    PHYSICAL REVIEW B, 2006, 74 (21):
  • [35] First-Principles Investigations of Antigorite Polysomatism Under Pressure
    Tsuchiya, Jun
    Mizoguchi, Taiga
    Inoue, Sayako
    Thompson, Elizabeth C.
    JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 2024, 129 (06)
  • [36] First-principles study of SnO under high pressure
    Ali, M. A.
    Islam, A. K. M. A.
    Jahan, N.
    Karimunnesa, S.
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2016, 30 (31):
  • [37] First-principles study of osmium under high pressure
    Liang, Yongcheng
    Fang, Zhong
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (39) : 8749 - 8759
  • [38] (Ga,Mn)As under pressure: A first-principles investigation
    Szwacki, N. Gonzalez
    Majewski, Jacek A.
    Dietl, T.
    PHYSICAL REVIEW B, 2015, 91 (18)
  • [39] First-Principles Study of Electrical Resistivity in Co2MnSi Compounds
    Kota, Y.
    Sakuma, A.
    IEEE TRANSACTIONS ON MAGNETICS, 2011, 47 (10) : 4405 - 4408
  • [40] Under pressure, solid CO2 resembles quartz
    不详
    CHEMICAL & ENGINEERING NEWS, 1999, 77 (10) : 32 - 32