Ab initio molecular dynamics simulation of methanol adsorbed in chabazite

被引：0
|
作者：
Haase, F.
Sauer, J.
Hutter, J.
机构：
来源：
Chemical Physics Letters | / 266卷 / 3-4期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [41] Ab initio molecular dynamics simulation of NO reactivity on the CaO(001) surface
    Di Valentin, C
    Pacchioni, G
    Bernasconi, M
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (16): : 8357 - 8362
  • [42] Ab initio molecular-dynamics simulation of concentrated phosphoric acid
    Tsuchida, Eiji
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2006, 75 (05)
  • [43] AN AB INITIO MOLECULAR DYNAMICS SIMULATION OF FEMTOSECOND LASER PROCESSING OF GERMANIUM
    Ji, Pengfei
    Zhang, Yuwen
    PROCEEDINGS OF THE ASME 4TH INTERNATIONAL CONFERENCE ON MICRO/NANOSCALE HEAT AND MASS TRANSFER - 2013, 2014,
  • [44] Search for the superiority of supercritical water with ab initio molecular dynamics simulation
    Song, Mengmeng
    Zhu, Shixing
    Jiao, Zihao
    Ou, Zhisong
    Liu, Ya
    Guo, Liejin
    JOURNAL OF MOLECULAR LIQUIDS, 2022, 365
  • [45] Ab initio molecular dynamics simulation of the Ag(111)-water interface
    Izvekov, S
    Voth, GA
    JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (15): : 7196 - 7206
  • [46] Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the nπ* state
    Ootani, Yusuke
    Satoh, Kiminori
    Nakayama, Akira
    Noro, Takeshi
    Taketsugu, Tetsuya
    JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (19):
  • [47] Ab initio molecular dynamics simulation of irradiation particles behavior in tungsten
    Luo, Min
    Liu, Sanqiu
    Ouyang, Chuying
    EUROPEAN PHYSICAL JOURNAL B, 2018, 91 (10):
  • [48] Ab initio molecular dynamics simulation of irradiation particles behavior in tungsten
    Min Luo
    Sanqiu Liu
    Chuying Ouyang
    The European Physical Journal B, 2018, 91
  • [49] Ab initio path integral molecular dynamics simulation of hydrogen in silicon
    Probert, M. I. J.
    Glover, M. J.
    HYDROGEN IN MATTER, 2006, 837 : 3 - +
  • [50] Ab-initio molecular dynamics simulation of amorphous silica surface
    Bernasconi, M
    DEFECTS IN SIO2 AND RELATED DIELECTRICS: SCIENCE AND TECHNOLOGY, 2000, 2 : 371 - 390
12345