Objects
Chung, Lung Wa, Sameera, W. M. C., Li, Hai-Bei, Ding, Lina, Morokuma, Keiji, Ramozzi, Romain, Page, Alister J., Hatanaka, Miho, Petrova, Galina P., Harris, Travis V., Li, Xin, Ke, Zhuofeng, Liu, Fengyi. American Chemical Society; 2015. The ONIOM method and its applications.
Page, Alister J., Saha, Supriya, Li, Hai-Bei, Irle, Stephan, Morokuma, Keiji. American Chemical Society; 2015. Quantum chemical simulation of carbon nanotube nucleation on Al₂O₃ catalysts via CH₄ chemical vapor deposition.
Wang, Ying, Page, Alister J., Li, Hai-Bei, Qian, Hu-Jun, Jiao, Meng-gai, Wu, Zhi-Jian, Morokuma, Keiji, Irle, Stephan. Royal Society of Chemistry; 2014. Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations.
Li, Hai-Bei, Page, Alister J., Irle, Stephan, Morokuma, Keiji. American Chemical Society; 2013. Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations.
Page, Alister J., Wang, Ying, Li, Hai-Bei, Irle, Stephan, Morokuma, Keiji. American Chemical Society; 2013. Nucleation of graphene precursors on transition metal surfaces: insights from theoretical simulations.
Li, Hai-Bei, Page, Alister J., Irle, Stephan, Morokuma, Keiji. American Chemical Society; 2013. Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates.
Page, Alister J., Mitchell, Izaac, Li, Hai-Bei, Wang, Ying, Jiao, Meng-gai, Irle, Stephan, Morokuma, Keiji. American Chemical Society; 2016. Spanning the "parameter space" of chemical vapor deposition graphene growth with quantum chemical simulations.
Li, Hai-Bei, Page, Alister J., Hettich, Christian, Aradi, Bálint, Köhler, Chistof, Frauenheim, Thomas, Irle, Stephen, Morokuma, Keiji. Royal Society of Chemistry; 2014. Graphene nucleation on a surface-molten copper catalyst: Quantum chemical molecular dynamics simulations.
Liu, Bilu, Liu, Jia, Li, Hai-Bei, Bhola, Radha, Jackson, Edward A., Scott, Lawrence T., Page, Alister, Irle, Stephan, Morokuma, Keiji, Zhou, Chongwu. American Chemical Society; 2015. Nearly exclusive growth of small diameter semiconducting single-wall carbon nanotubes from organic chemistry synthetic end-cap molecules.