Symington AR - Search Results

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The energetics of carbonated PuO₂ surfaces affects nanoparticle morphology: a DFT+U study.

Moxon S, Symington AR, Tse JS, Dawson J, Flitcroft JM, Parker SC, Cooke DJ, Harker RM, Molinari M. Moxon S, et al. Among authors: symington ar. Phys Chem Chem Phys. 2020 Apr 15;22(15):7728-7737. doi: 10.1039/d0cp00021c. Phys Chem Chem Phys. 2020. PMID: 32191781

Impact of Hydrogen on the Intermediate Oxygen Clusters and Diffusion in Fluorite Structured UO_{2+ x}.

Flitcroft JM, Symington AR, Molinari M, Brincat NA, Williams NR, Parker SC. Flitcroft JM, et al. Among authors: symington ar. Inorg Chem. 2019 Mar 18;58(6):3774-3779. doi: 10.1021/acs.inorgchem.8b03317. Epub 2019 Mar 5. Inorg Chem. 2019. PMID: 30835457

An introduction to classical molecular dynamics simulation for experimental scattering users.

McCluskey AR, Grant J, Symington AR, Snow T, Doutch J, Morgan BJ, Parker SC, Edler KJ. McCluskey AR, et al. Among authors: symington ar. J Appl Crystallogr. 2019 May 7;52(Pt 3):665-668. doi: 10.1107/S1600576719004333. eCollection 2019 Jun 1. J Appl Crystallogr. 2019. PMID: 31236095 Free PMC article.

Defect segregation facilitates oxygen transport at fluorite UO₂ grain boundaries.

Symington AR, Molinari M, Brincat NA, Williams NR, Parker SC. Symington AR, et al. Philos Trans A Math Phys Eng Sci. 2019 Aug 26;377(2152):20190026. doi: 10.1098/rsta.2019.0026. Epub 2019 Jul 8. Philos Trans A Math Phys Eng Sci. 2019. PMID: 31280720 Free PMC article.

Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximizing Their Activity.

Molinari M, Symington AR, Sayle DC, Sakthivel TS, Seal S, Parker SC. Molinari M, et al. Among authors: symington ar. ACS Appl Bio Mater. 2019 Mar 18;2(3):1098-1106. doi: 10.1021/acsabm.8b00709. Epub 2019 Feb 21. ACS Appl Bio Mater. 2019. PMID: 35021360

Composition-dependent morphologies of CeO₂ nanoparticles in the presence of Co-adsorbed H₂O and CO₂: a density functional theory study.

Moxon S, Symington AR, Tse JS, Flitcroft JM, Skelton JM, Gillie LJ, Cooke DJ, Parker SC, Molinari M. Moxon S, et al. Among authors: symington ar. Nanoscale. 2024 Jun 13;16(23):11232-11249. doi: 10.1039/d4nr01296h. Nanoscale. 2024. PMID: 38779821

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