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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: svane k. 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: svane kl. 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.
Computational materials design of crystalline solids.
Butler KT, Frost JM, Skelton JM, Svane KL, Walsh A. Butler KT, et al. Chem Soc Rev. 2016 Nov 7;45(22):6138-6146. doi: 10.1039/c5cs00841g. Chem Soc Rev. 2016. PMID: 26992173 Free PMC article.
How Strong Is the Hydrogen Bond in Hybrid Perovskites?
Svane KL, Forse AC, Grey CP, Kieslich G, Cheetham AK, Walsh A, Butler KT. Svane KL, et al. J Phys Chem Lett. 2017 Dec 21;8(24):6154-6159. doi: 10.1021/acs.jpclett.7b03106. Epub 2017 Dec 11. J Phys Chem Lett. 2017. PMID: 29216715 Free PMC article.
Electronic, magnetic and photophysical properties of MOFs and COFs: general discussion.
Banerjee T, Bennett T, Butler K, Easun TL, Eddaoudi M, Forgan R, Gagliardi L, Hendon C, Jorge M, Lamberti C, Lee JM, Leus K, Li J, Lin W, Ranocchiari M, Rosi N, Santaclara JG, Shevlin S, Svane K, Ting V, van der Veen M, Van Der Voort P, Walsh A, Woods D, Yaghi OM, Zhu G. Banerjee T, et al. Among authors: svane k. Faraday Discuss. 2017 Sep 1;201:87-99. doi: 10.1039/c7fd90043k. Epub 2017 Aug 23. Faraday Discuss. 2017. PMID: 28832059 No abstract available.
28 results