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Multiscale QM/MM modelling of catalytic systems with ChemShell.
Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW. Lu Y, et al. Among authors: woodley sm. Phys Chem Chem Phys. 2023 Aug 23;25(33):21816-21835. doi: 10.1039/d3cp00648d. Phys Chem Chem Phys. 2023. PMID: 37097706 Free article. Review.
Bubbles and microporous frameworks of silicon carbide.
Watkins MB, Shevlin SA, Sokol AA, Slater B, Catlow CR, Woodley SM. Watkins MB, et al. Among authors: woodley sm. Phys Chem Chem Phys. 2009 May 7;11(17):3186-200. doi: 10.1039/b902603g. Epub 2009 Mar 27. Phys Chem Chem Phys. 2009. PMID: 19370214
Modelling nano-clusters and nucleation.
Catlow CR, Bromley ST, Hamad S, Mora-Fonz M, Sokol AA, Woodley SM. Catlow CR, et al. Among authors: woodley sm. Phys Chem Chem Phys. 2010 Jan 28;12(4):786-811. doi: 10.1039/b916069h. Epub 2009 Dec 15. Phys Chem Chem Phys. 2010. PMID: 20066364
Advances in computational studies of energy materials.
Catlow CR, Guo ZX, Miskufova M, Shevlin SA, Smith AG, Sokol AA, Walsh A, Wilson DJ, Woodley SM. Catlow CR, et al. Among authors: woodley sm. Philos Trans A Math Phys Eng Sci. 2010 Jul 28;368(1923):3379-456. doi: 10.1098/rsta.2010.0111. Philos Trans A Math Phys Eng Sci. 2010. PMID: 20566517 Review.
42 results