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
  • [1] Ab initio molecular dynamics simulation of methanol adsorbed in chabazite
    Haase, F
    Sauer, J
    Hutter, J
    CHEMICAL PHYSICS LETTERS, 1997, 266 (3-4) : 397 - 402
  • [2] Ab initio molecular dynamics study of liquid methanol
    Handgraaf, JW
    van Erp, TS
    Meijer, EJ
    CHEMICAL PHYSICS LETTERS, 2003, 367 (5-6) : 617 - 624
  • [3] Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutions
    Morrone, JA
    Hasllinger, KE
    Tuckerman, ME
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (08): : 3712 - 3720
  • [4] Ab initio molecular dynamics simulation of methanol and acetonitrile: The effect of van der Waals interactions
    Dias, Rafael F.
    aa Costa, Cleidineia C.
    Manhabosco, Taise M.
    de Oliveira, Alan B.
    Matos, Matheus J. S.
    Soares, Jaqueline S.
    Batista, Ronaldo J. C.
    CHEMICAL PHYSICS LETTERS, 2019, 714 (172-177) : 172 - 177
  • [5] Ab initio molecular dynamics simulation of methanol interacting with acidic zeolites of different framework structure
    Haase, F
    Sauer, J
    MICROPOROUS AND MESOPOROUS MATERIALS, 2000, 35-6 : 379 - 385
  • [6] Ab initio molecular dynamics simulation of condensed molecular systems
    Sprik, M
    ELECTRICAL AND RELATED PROPERTIES OF ORGANIC SOLIDS, 1997, 24 : 395 - 401
  • [7] Ab initio molecular dynamics simulation of ionic liquids
    Ghatee, Mohammad Hadi
    Ansari, Younes
    JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (15):
  • [8] Ab initio molecular dynamics simulation of liquids and solutions
    Sprik, M
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (47) : 9405 - 9409
  • [9] Ab initio molecular dynamics simulation of liquids and solutions
    Sprik, M
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (8A) : A161 - A163
  • [10] Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol
    Thi Nu Pham
    Ono, Shota
    Ohno, Kaoru
    JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (14):