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Structure searching methods: general discussion.
Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Brandenburg JG, Braun DE, Burger V, Burow A, Collins C, Cooper A, Day GM, Deringer VL, Dyer MS, Hare A, Jelfs KE, Keupp J, Konstantinopoulos S, Li Y, Ma Y, Marom N, McKay D, Mellot-Draznieks C, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Price SL, Reutzel-Edens S, Ruggiero M, Sastre G, Schmid R, Schmidt J, Schön JC, Spackman P, Tsuzuki S, Woodley SM, Yang S, Zhu Q. Addicoat M, et al. Among authors: spackman p. Faraday Discuss. 2018 Oct 26;211(0):133-180. doi: 10.1039/c8fd90030b. Faraday Discuss. 2018. PMID: 30307457 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: spackman p. Faraday Discuss. 2018 Oct 26;211(0):613-642. doi: 10.1039/c8fd90034e. Faraday Discuss. 2018. PMID: 30298165 No abstract available.
2,7- and 4,9-Dialkynyldihydropyrene Molecular Switches: Syntheses, Properties, and Charge Transport in Single-Molecule Junctions.
Roemer M, Gillespie A, Jago D, Costa-Milan D, Alqahtani J, Hurtado-Gallego J, Sadeghi H, Lambert CJ, Spackman PR, Sobolev AN, Skelton BW, Grosjean A, Walkey M, Kampmann S, Vezzoli A, Simpson PV, Massi M, Planje I, Rubio-Bollinger G, Agraït N, Higgins SJ, Sangtarash S, Piggott MJ, Nichols RJ, Koutsantonis GA. Roemer M, et al. Among authors: spackman pr. J Am Chem Soc. 2022 Jul 20;144(28):12698-12714. doi: 10.1021/jacs.2c02289. Epub 2022 Jun 29. J Am Chem Soc. 2022. PMID: 35767015
25 results