Role of Graphitic Bowls in Temperature Dependent Fullerene Formation

- Mitchell, Izaac, Qiu, Lu, Page, Alister, Lamb, Lowell D., Ding, Feng

Quantum chemical investigation of the growth and chemistry of graphene

- Mitchell, Izaac

Density functional tight binding-based free energy simulations in the DFTB plus program

- Mitchell, Izaac, Aradi, Balint, Page, Alister J.

Inducing regioselective chemical reactivity in graphene with alkali metal intercalation

- Mitchell, Izaac, Irle, Stephan, Page, Alister J.

Catalytic CVD synthesis of boron nitride and carbon nanomaterials - synergies between experiment and theory

- McLean, Ben, Eveleens, Clothilde A., Mitchell, Izaac, Webber, Grant B., Page, Alister J.

A global reaction route mapping-based kinetic Monte Carlo algorithm

- Mitchell, Izaac, Irle, Stephan, Page, Alister J.

Spanning the "parameter space" of chemical vapor deposition graphene growth with quantum chemical simulations

- Page, Alister J., Mitchell, Izaac, Li, Hai-Bei, Wang, Ying, Jiao, Meng-gai, Irle, Stephan, Morokuma, Keiji

Structure and absorption in C₆₀-zinc tetra-phenylporphyrin composite materials: a computational study

- Mitchell, Izaac, Page, Alister J.