Research output per year
Research output per year
Research output
- 6 Article
Search results
-
2023
Location of Artinite (Mg2CO3(OH)2.3H2O) within the MgO–CO2–H2O system using ab initio thermodynamics
Tse, J., Grant, J., Skelton, J. M., Gillie, L. J., Zhu, R., Pesce, G. L., Ball, R. J., Parker, S. C. & Molinari, M., 21 Jul 2023, In: Physical chemistry chemical physics : PCCP. 25, 27, p. 18011-18022 12 p.Research output: Contribution to journal › Article › peer-review
Open Access4 Citations (SciVal) -
2013
DL_MONTE: A general purpose program for parallel Monte Carlo simulation
Purton, J. A., Crabtree, J. C. & Parker, S. C., 1 Dec 2013, In: Molecular Simulation. 39, 14-15, p. 1240-1252 13 p.Research output: Contribution to journal › Article › peer-review
78 Citations (SciVal) -
Limits to doping of wide band gap semiconductors
Walsh, A., Buckeridge, J., Catlow, C. R. A., Jackson, A. J., Keal, T. W., Miskufova, M., Sherwood, P., Shevlin, S. A., Watkins, M. B., Woodley, S. M. & Sokol, A. A., 13 Aug 2013, In: Chemistry of Materials. 25, 15, p. 2924-2926 3 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile64 Citations (SciVal)188 Downloads (Pure) -
Modeling the interaction of nanoparticles with mineral surfaces: adsorbed C60 on pyrophyllite
Zhu, R., Molinari, M., Shapley, T. V. & Parker, S. C., 1 Aug 2013, In: The Journal of Physical Chemistry A. 117, 30, p. 6602-6611 10 p.Research output: Contribution to journal › Article › peer-review
16 Citations (SciVal) -
Monte Carlo simulation and free energies of mixed oxide nanoparticles
Purton, J. A., Parker, S. C. & Allan, N. L., 7 May 2013, In: Physical Chemistry Chemical Physics. 15, 17, p. 6219-6225 7 p.Research output: Contribution to journal › Article › peer-review
6 Citations (SciVal) -
Simulation of the adsorption and transport of CO2 on faujasite surfaces
Crabtree, J., Molinari, M., Parker, S. C. & Purton, J. A., 2013, In: The Journal of Physical Chemistry C. 117, 42, p. 21778-21787 10 p.Research output: Contribution to journal › Article › peer-review
22 Citations (SciVal)