Rupture mechanism of aromatic systems from graphite probed with molecular dynamics simulations.
Leng
Yumin
Y
Key Laboratory of Computational Biology, CAS-MPG Partner Institute for Computational Biology, Chinese Academy of Sciences, 320 Yueyang Road, Shanghai, 200031, PR China.
Chen
Jian
J
Zhou
Beifei
B
Gräter
Frauke
F
D006108:Graphite / Q000737:chemistry*; D008962:Models, Theoretical; D056004:Molecular Dynamics Simulation; D011083:Polycyclic Compounds / Q000737:chemistry*; D011721:Pyrenes / Q000737:chemistry*
D011083:Polycyclic Compounds; D011721:Pyrenes; D006108:Graphite; C012256:coronene; C030984:pyrene