1. Biswajit Saha, Stephan Irle, and Keiji Morokuma
Hot Giant Fullerenes Eject and Capture C2 Molecules: QM/MD Simulations with Constant Density
J. Phys. Chem. C
2011, 115 (46), pp 22707–22716
- DOI:
http://dx.doi.org/10.1021/jp203614e
Dimerization-Initiated Preferential Formation of Coronene-Based Graphene Nanoribbons in Carbon Nanotubes
J. Phys. Chem. C
2012, 116 (28), pp 15141–15145
- DOI:
http://dx.doi.org/10.1021/jp3037268