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Page 1
Novel computational tools: general discussion.
Bennett TD, Brammer L, Coudert FX, Evans JD, Fischer M, Goodwin AL, Jiang J, Kaskel S, Kitagawa S, Krause S, Lee JM, Matsuda R, Rogge SMJ, Ryder MR, Schmid R, Tarzia A, van der Veen MA, Van Speybroeck V. Bennett TD, et al. Among authors: ryder mr. Faraday Discuss. 2021 Feb 4;225(0):341-357. doi: 10.1039/d0fd90034f. Faraday Discuss. 2021. PMID: 33480948 No abstract available.
Advanced characterisation techniques: multi-scale, in situ, and time-resolved: general discussion.
Brammer L, Burrows AD, Chong SY, Craig G, Evans J, Farha O, Farrusseng D, Fischer M, Goodwin A, Huang Z, Johnson B, Kaskel S, Kitagawa S, Lavenn C, Lee AY, Lee JM, Matsuda R, Phillips AE, Rainer DN, Ryder MR, Schmid R, Shivanna M, Sumby C, Taddei M, Terry L, Ting VP, van der Veen MA, West NG. Brammer L, et al. Among authors: ryder mr. Faraday Discuss. 2021 Feb 4;225(0):152-167. doi: 10.1039/d0fd90032j. Faraday Discuss. 2021. PMID: 33480900 No abstract available.
Towards complex systems and devices: general discussion.
Baretta R, Brammer L, Burrows AD, Farrusseng D, Horike S, Jiang J, Kato M, Kitagawa S, Krause S, Lee JM, Legrand A, Matsuda R, Morris A, Phillips AE, Ryder MR, Shivanna M, Sirbu D, Taddei M, Terry L, Wilson B, Yanai N. Baretta R, et al. Among authors: ryder mr. Faraday Discuss. 2021 Feb 4;225(0):431-441. doi: 10.1039/d0fd90036b. Faraday Discuss. 2021. PMID: 33480961 No abstract available.
Catalysis in MOFs: general discussion.
Carraro F, Chapman K, Chen Z, Dincă M, Easun T, Eddaoudi M, Farha O, Forgan R, Gagliardi L, Haase F, Harris D, Kitagawa S, Knichal J, Lamberti C, Lee JM, Leus K, Li J, Lin W, Lloyd G, Long JR, Lu C, Ma S, McHugh L, Perez JPH, Ranocchiari M, Rosi N, Rosseinsky M, Ryder MR, Ting V, van der Veen M, Van Der Voort P, Volkmer D, Walsh A, Woods D, Yaghi OM. Carraro F, et al. Among authors: ryder mr. Faraday Discuss. 2017 Sep 1;201:369-394. doi: 10.1039/c7fd90046e. Epub 2017 Aug 23. Faraday Discuss. 2017. PMID: 28832064 No abstract available.
Challenges for large scale simulation: general discussion.
Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, Mulay MR, Neugebauer J, Pernal K, Pribram-Jones A, Romaniello P, Ryder MR, Savin A, Sirbu D, Skylaris CK, Truhlar DG, Wetherell J, Yang W. Brandenburg JG, et al. Among authors: ryder mr. Faraday Discuss. 2020 Dec 4;224(0):309-332. doi: 10.1039/D0FD90024A. Faraday Discuss. 2020. PMID: 33227116 No abstract available.
New density-functional approximations and beyond: general discussion.
Brandenburg JG, Burke K, Cancio A, Erhard J, Fromager E, Ghosal A, Gidopoulos N, Gori-Giorgi P, Helgaker T, Hourahine B, Jacob CR, Kooi D, Maitra N, Mulay MR, Pernal K, Pribram-Jones A, Reining L, Romaniello P, Ryder MR, Savin A, Skylaris CK, Teale AM, Tozer D, Truhlar DG, Yang W. Brandenburg JG, et al. Among authors: ryder mr. Faraday Discuss. 2020 Dec 4;224(0):166-200. doi: 10.1039/D0FD90023K. Faraday Discuss. 2020. PMID: 33232402 No abstract available.
New approaches to study excited states in density functional theory: general discussion.
Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, Mehta N, Monti F, Mulay MR, Pernal K, Reining L, Romaniello P, Ryder MR, Savin A, Sirbu D, Teale AM, Thom AJW, Truhlar DG, Wetherell J, Yang W. Brandenburg JG, et al. Among authors: ryder mr. Faraday Discuss. 2020 Dec 4;224(0):483-508. doi: 10.1039/D0FD90026E. Faraday Discuss. 2020. PMID: 33245076 No abstract available.
Applications of crystal structure prediction - inorganic and network structures: general discussion.
Burger V, Claeyssens F, Davies DW, Day GM, Dyer MS, Hare A, Li Y, Mellot-Draznieks C, Mitchell JBO, Mohamed S, Oganov AR, Price SL, Ruggiero M, Ryder MR, Sastre G, Schön JC, Spackman P, Woodley SM, Zhu Q. Burger V, et al. Among authors: ryder mr. Faraday Discuss. 2018 Oct 26;211(0):613-642. doi: 10.1039/c8fd90034e. Faraday Discuss. 2018. PMID: 30298165 No abstract available.
36 results