Electronic and Thermophysical Properties of Gas Hydrates: Ab Initio Simulation Results

被引:0
|
作者
M. B. Yunusov
R. M. Khusnutdinoff
A. V. Mokshin
机构
[1] Kazan Federal University,
[2] Udmurt Federal Research Center,undefined
[3] Ural Branch,undefined
[4] Russian Academy of Sciences,undefined
来源
关键词
ab initio calculations; density of electronic states;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:372 / 376
页数:4
相关论文
共 50 条
  • [41] Ab initio investigation of the lattice dynamics and thermophysical properties of BCC vanadium and niobium
    Pandey, Prakash
    Pandey, Sudhir K.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2024, 36 (16)
  • [42] Ab initio intermolecular potential energy surface and thermophysical properties of hydrogen sulfide
    Hellmann, Robert
    Bich, Eckard
    Vogel, Eckhard
    Vesovic, Velisa
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (30) : 13749 - 13758
  • [43] Ab initio intermolecular potential energy surface and thermophysical properties of nitrous oxide
    Crusius, Johann-Philipp
    Hellmann, Robert
    Hassel, Egon
    Bich, Eckard
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (24):
  • [44] Intermolecular potentials for gas hydrates obtained from ab initio quantum mechanics.
    Klauda, JB
    Sandler, SI
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U513 - U513
  • [45] Ab initio structural simulation and electronic structure of amorphous carbon
    Wei, Gao
    Jia-Qi, Zhu
    Li, Niu
    Jie-Cai, Han
    Bao-Chang, Dai
    ACTA PHYSICA SINICA, 2008, 57 (01) : 398 - 404
  • [46] Ab initio structural simulation and electronic structure of lithium imide
    Yu Da-Long
    Chen Yu-Hong
    Cao Yi-Jie
    Zhang Cai-Rong
    ACTA PHYSICA SINICA, 2010, 59 (03) : 1991 - 1996
  • [47] Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas
    Hellmann, Robert
    CHEMICAL PHYSICS LETTERS, 2014, 613 : 133 - 138
  • [48] Ab initio DFT simulation of electronic and magnetic properties of Tin+1 and FeTin clusters
    Rachida Haichour
    Sofiane Mahtout
    Journal of Molecular Modeling, 2022, 28
  • [49] Structural and electronic properties of liquid InSb alloy: An ab initio molecular-dynamics simulation
    Zhang, CQ
    Wei, YH
    Zhu, CF
    CHEMICAL PHYSICS LETTERS, 2005, 408 (4-6) : 348 - 353
  • [50] Structural and electronic properties of supercritical fluid selenium: an ab initio molecular-dynamics simulation
    Shimojo, F
    Hoshino, K
    Zempo, Y
    Watabe, M
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1999, 250 : 542 - 546