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, StephanVolume:
116
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp3023666
Date:
July, 2012
File:
PDF, 334 KB
english, 2012