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Browse by Current Cardiff authors

Number of items: 5.

Zou, Run, Bramley, Gabriel A., Xu, Shanshan, Chansai, Sarayute, Panchal, Monik, Chen, Huanhao, Zhou, Yangtao, Gao, Pan, Hou, Guangjin, Holmes, Stuart M., Hardacre, Christopher, Jiao, Yilai, Logsdail, Andrew J. ORCID: and Fan, Xiaolei 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, Gabriel Adrian, Beynon, Owain Tomos, Stishenko, Pavel Viktorovich and Logsdail, Andrew James ORCID: 2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25 (9) , pp. 6562-6585. 10.1039/d2cp04537k

Bramley, Gabriel A., Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 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, Joseph C. A., Aarons, Jolyon, Womack, James C., Allen, Alice E. A., Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A., Bhandari, Arihant, Bramley, Gabriel A., Charlton, Robert J., Clements, Rebecca J., Cole, Daniel J., Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M.-M., Duff, Kevin K. B., Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P., Linscott, Edward, O'Regan, David D., Phipps, Maximillian J. S., Ratcliff, Laura E., Serrano, Álvaro Ruiz, Tait, Edward W., Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J., Dziedzic, Jacek, Haynes, Peter D., Hine, Nicholas D. M., Mostofi, Arash A., Payne, Mike C. and Skylaris, Chris-Kriton 2020. The ONETEP linear-scaling density functional theory program. The Journal of Chemical Physics 152 , 174111. 10.1063/5.0004445

Bramley, Gabriel, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 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

This list was generated on Sat May 18 06:12:30 2024 BST.