https://nova.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 Spanning the "parameter space" of chemical vapor deposition graphene growth with quantum chemical simulations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:27720 Wed 24 Jul 2019 13:37:19 AEST ]]> The ONIOM method and its applications https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:28079 Tue 24 Aug 2021 14:28:13 AEST ]]> Nucleation of graphene precursors on transition metal surfaces: insights from theoretical simulations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:20268 Sat 24 Mar 2018 07:59:54 AEDT ]]> Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:20269 Sat 24 Mar 2018 07:59:54 AEDT ]]> Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:18378 Sat 24 Mar 2018 07:52:41 AEDT ]]> Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:21358 Sat 24 Mar 2018 07:51:28 AEDT ]]> Nearly exclusive growth of small diameter semiconducting single-wall carbon nanotubes from organic chemistry synthetic end-cap molecules https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:26980 Sat 24 Mar 2018 07:26:59 AEDT ]]> Graphene nucleation on a surface-molten copper catalyst: Quantum chemical molecular dynamics simulations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:20914 Mon 12 Aug 2019 14:38:16 AEST ]]> Quantum chemical simulation of carbon nanotube nucleation on Al₂O₃ catalysts via CH₄ chemical vapor deposition https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:23406 Mon 12 Aug 2019 13:57:03 AEST ]]>