ORCA
Online Research @ CardiffÂ
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Up a levelNumber of items: 4.
Boucher, Alexandre, Beevers, Cameron, Gauthier, Bertrand  ORCID: https://orcid.org/0000-0001-5469-814X and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004
2025.
Machine learning force field for optimization of isolated and supported transition metal particles.
Journal of Chemical Theory and Computation
21
(5)
, pp. 2626-2637.
10.1021/acs.jctc.4c01606
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Beevers, Cameron, Francis, Samantha and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004
2023.
Symmetry analysis of irregular objects.
Journal of Mathematical Chemistry
10.1007/s10910-022-01423-x
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Beevers, Cameron
2021.
Advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level.
PhD Thesis,
Cardiff University.
Item availability restricted. |
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Campisi, Sebastiano, Beevers, Cameron, Nasrallah, Ali, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Chan-Thaw, Carine e., Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Roldan, Alberto and Villa, Alberto
2020.
DFT-assisted spectroscopic studies on the coordination of small ligands to palladium: from isolated ions to nanoparticles.
Journal of Physical Chemistry C
124
(8)
, pp. 4781-4790.
10.1021/acs.jpcc.9b09791
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