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Computational materials design of crystalline solids.
Butler KT, Frost JM, Skelton JM, Svane KL, Walsh A. Butler KT, et al. Among authors: walsh a. Chem Soc Rev. 2016 Nov 7;45(22):6138-6146. doi: 10.1039/c5cs00841g. Chem Soc Rev. 2016. PMID: 26992173 Free PMC article.
Electronic origins of photocatalytic activity in d0 metal organic frameworks.
Nasalevich MA, Hendon CH, Santaclara JG, Svane K, van der Linden B, Veber SL, Fedin MV, Houtepen AJ, van der Veen MA, Kapteijn F, Walsh A, Gascon J. Nasalevich MA, et al. Among authors: walsh a. Sci Rep. 2016 Mar 29;6:23676. doi: 10.1038/srep23676. Sci Rep. 2016. PMID: 27020767 Free PMC article.
Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66.
Bristow JK, Svane KL, Tiana D, Skelton JM, Gale JD, Walsh A. Bristow JK, et al. Among authors: walsh a. J Phys Chem C Nanomater Interfaces. 2016 May 5;120(17):9276-9281. doi: 10.1021/acs.jpcc.6b01659. Epub 2016 Apr 12. J Phys Chem C Nanomater Interfaces. 2016. PMID: 27610208 Free PMC article.
Chemical and Lattice Stability of the Tin Sulfides.
Skelton JM, Burton LA, Oba F, Walsh A. Skelton JM, et al. Among authors: walsh a. J Phys Chem C Nanomater Interfaces. 2017 Mar 30;121(12):6446-6454. doi: 10.1021/acs.jpcc.6b12581. Epub 2017 Mar 6. J Phys Chem C Nanomater Interfaces. 2017. PMID: 28652889 Free PMC article.
1,759 results