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Detailed kinetic Monte Carlo simulations of graphene-edge growth.
J Phys Chem A. 2010 Jan 21;114(2):689-703. doi: 10.1021/jp906541a.
J Phys Chem A. 2010.
PMID: 20000728
Isomer energy differences for the C4H3 and C4H5 isomers using diffusion Monte Carlo.
Domin D, Lester WA Jr, Whitesides R, Frenklach M.
Domin D, et al. Among authors: whitesides r.
J Phys Chem A. 2008 Mar 13;112(10):2065-8. doi: 10.1021/jp709940s. Epub 2008 Jan 18.
J Phys Chem A. 2008.
PMID: 18201074
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Graphene layer growth chemistry: five- and six-member ring flip reaction.
Whitesides R, Domin D, Salomón-Ferrer R, Lester WA Jr, Frenklach M.
Whitesides R, et al.
J Phys Chem A. 2008 Mar 13;112(10):2125-30. doi: 10.1021/jp075785a. Epub 2007 Dec 18.
J Phys Chem A. 2008.
PMID: 18085755
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