Items where Author is "Willock, David J."

Reece, Christian and Willock, David J. and Trewin, Abbie (2015) Modelling analysis of the structure and porosity of covalent triazine-based frameworks. Physical Chemistry Chemical Physics, 17 (2). pp. 817-823. ISSN 1463-9076

Holden, Daniel and Jelfs, Kim E. and Trewin, Abbie and Willock, David J. and Haranczyk, Maciej and Cooper, Andrew I. (2014) Gas diffusion in a porous organic cage : analysis of dynamic pore connectivity using molecular dynamics simulations. The Journal of Physical Chemistry C, 118 (24). 12734–12743. ISSN 1932-7447

Holden, Daniel and Jelfs, Kim E. and Cooper, Andrew I. and Trewin, Abbie and Willock, David J. (2012) Bespoke force field for simulating the molecular dynamics of porous organic cages. The Journal of Physical Chemistry C, 116 (31). pp. 16639-16651. ISSN 1932-7447

Jones, James T. A. and Holden, Daniel and Mitra, Tamoghna and Hasell, Tom and Adams, Dave J. and Jelfs, Kim E. and Trewin, Abbie and Willock, David J. and Day, Graeme M. and Bacsa, John and Steiner, Alexander and Cooper, Andrew I. (2011) On-off porosity switching in a molecular organic solid. Angewandte Chemie International Edition, 50 (3). pp. 749-753. ISSN 1433-7851

Trewin, Abbie and Willock, David J. and Cooper, Andrew I. (2008) Atomistic simulation of micropore structure, surface area, and gas sorption properties for amorphous microporous polymer networks. The Journal of Physical Chemistry C, 112 (51). pp. 20549-20559. ISSN 1932-7447