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