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DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts

Ma, Li; Melander, Marko; Weckman, Timo; Lipasti, Saana; Laasonen, Kari; Akola, Jaakko
  • 期刊名称Journal of Molecular Graphics and Modelling
  • 作者Ma, Li; Melander, Marko; Weckman, Timo; Lipasti, Saana; Laasonen, Kari; Akola, Jaakko
  • 卷第65卷
  • 印刷ISSN1093-3263
  • 文件大小2991.47KB
  • 发表时间2016-04
  • DOI10.1016/j.jmgm.2016.02.007
  • 页码61-70
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