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Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

Wang, Ying; Qian, Hu-Jun; Morokuma, Keiji; Irle, Stephan
  • 期刊名称The Journal of Physical Chemistry A
  • 作者Wang, Ying; Qian, Hu-Jun; Morokuma, Keiji; Irle, Stephan
  • 卷第116卷
  • 期第26期
  • 印刷ISSN1089-5639
  • 电子ISSN1520-5215
  • 文件大小333.56KB
  • 发表时间2012-07-05
  • DOI10.1021/jp3023666
  • 页码7154-7160
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