Cyhoeddiad
2025
- Bramley, G., van Vuren, O. and Logsdail, A. J. 2025. A computational study of the formation of surface methoxy species in H-SSZ-13 and H-SAPO-34 frameworks. Physical Chemistry Chemical Physics 27(24), pp. 12996-13010. (10.1039/D5CP00256G)
2024
- Zou, R. et al. 2024. Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis. Catalysis Science & Technology 14, pp. 164-173. (10.1039/d3cy01334k)
2023
- Bramley, G. A., Beynon, O. T., Stishenko, P. V. and Logsdail, A. J. 2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25(9), pp. 6562-6585. (10.1039/d2cp04537k)
2022
- Bramley, G. A., Nguyen, M., Glezakou, V., Rousseau, R. and Skylaris, C. 2022. Understanding adsorption of organics on pt(111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models. Journal of Chemical Theory and Computation 18(3), pp. 1849-1861. (10.1021/acs.jctc.1c00894)
2020
- Prentice, J. C. A. et al. 2020. The ONETEP linear-scaling density functional theory program. The Journal of Chemical Physics 152, article number: 174111. (10.1063/5.0004445)
- Bramley, G., Nguyen, M., Glezakou, V., Rousseau, R. and Skylaris, C. 2020. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of Chemical Theory and Computation 16(4), pp. 2703-2715. (10.1021/acs.jctc.0c00034)
Articles
- Bramley, G., van Vuren, O. and Logsdail, A. J. 2025. A computational study of the formation of surface methoxy species in H-SSZ-13 and H-SAPO-34 frameworks. Physical Chemistry Chemical Physics 27(24), pp. 12996-13010. (10.1039/D5CP00256G)
- Zou, R. et al. 2024. Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis. Catalysis Science & Technology 14, pp. 164-173. (10.1039/d3cy01334k)
- Bramley, G. A., Beynon, O. T., Stishenko, P. V. and Logsdail, A. J. 2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25(9), pp. 6562-6585. (10.1039/d2cp04537k)
- Bramley, G. A., Nguyen, M., Glezakou, V., Rousseau, R. and Skylaris, C. 2022. Understanding adsorption of organics on pt(111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models. Journal of Chemical Theory and Computation 18(3), pp. 1849-1861. (10.1021/acs.jctc.1c00894)
- Prentice, J. C. A. et al. 2020. The ONETEP linear-scaling density functional theory program. The Journal of Chemical Physics 152, article number: 174111. (10.1063/5.0004445)
- Bramley, G., Nguyen, M., Glezakou, V., Rousseau, R. and Skylaris, C. 2020. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of Chemical Theory and Computation 16(4), pp. 2703-2715. (10.1021/acs.jctc.0c00034)