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2002 1
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2012 2
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Page 1
Pressure-induced polymorphism in phenol.
Allan DR, Clark SJ, Dawson A, McGregor PA, Parsons S. Allan DR, et al. Among authors: clark sj. Acta Crystallogr B. 2002 Dec;58(Pt 6):1018-24. doi: 10.1107/s0108768102018797. Epub 2002 Nov 28. Acta Crystallogr B. 2002. PMID: 12456981
Reproducibility in density functional theory calculations of solids.
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dułak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Grånäs O, Gross EK, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NA, Iuşan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Küçükbenli E, Kvashnin YO, Locht IL, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordström L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MI, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunström P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S. Lejaeghere K, et al. Among authors: clark sj. Science. 2016 Mar 25;351(6280):aad3000. doi: 10.1126/science.aad3000. Science. 2016. PMID: 27013736 Free article.
Density functional theory in the solid state.
Hasnip PJ, Refson K, Probert MI, Yates JR, Clark SJ, Pickard CJ. Hasnip PJ, et al. Among authors: clark sj. Philos Trans A Math Phys Eng Sci. 2014 Feb 10;372(2011):20130270. doi: 10.1098/rsta.2013.0270. Print 2014 Mar 13. Philos Trans A Math Phys Eng Sci. 2014. PMID: 24516184 Free PMC article.
Pressure-Induced Polymerization of Polycyclic Arene-Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons.
Friedrich A, Collings IE, Dziubek KF, Fanetti S, Radacki K, Ruiz-Fuertes J, Pellicer-Porres J, Hanfland M, Sieh D, Bini R, Clark SJ, Marder TB. Friedrich A, et al. Among authors: clark sj. J Am Chem Soc. 2020 Nov 4;142(44):18907-18923. doi: 10.1021/jacs.0c09021. Epub 2020 Oct 23. J Am Chem Soc. 2020. PMID: 33095990
27 results