ORCA
Online Research @ Cardiff
Browse by Current Cardiff authors
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Up a levelNumber 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: https://orcid.org/0000-0002-2277-415X 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
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Bramley, Gabriel Adrian, Beynon, Owain Tomos ORCID: https://orcid.org/0000-0003-3165-4472, Stishenko, Pavel Viktorovich and Logsdail, Andrew James ORCID: https://orcid.org/0000-0002-2277-415X
2023.
The application of QM/MM simulations in heterogeneous catalysis.
Physical Chemistry Chemical Physics
25
(9)
, pp. 6562-6585.
10.1039/d2cp04537k
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| 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 |
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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
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| 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 |
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