Graeme M. Day

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Andrew I. CooperUniversity of LiverpoolAdresse e-mail validée de liv.ac.uk
Marc A. LittleUniversity of LiverpoolAdresse e-mail validée de liverpool.ac.uk
Tomislav FriscicUniversity of BirminghamAdresse e-mail validée de bham.ac.uk
Sam ChongUniversity of LiverpoolAdresse e-mail validée de liverpool.ac.uk
Kim E JelfsProfessor of Computational Materials Chemistry at Imperial College LondonAdresse e-mail validée de imperial.ac.uk
Tom HasellUniversity of LiverpoolAdresse e-mail validée de liv.ac.uk
Rob ClowesUniversity of LiverpoolAdresse e-mail validée de liverpool.ac.uk
Aurora J. Cruz-CabezaUniversity of DurhamAdresse e-mail validée de durham.ac.uk
Angeles PulidoCressetAdresse e-mail validée de cresset-group.com
Jonas NymanThe Cambridge Crystallographic Data CentreAdresse e-mail validée de ccdc.cam.ac.uk
Josh E. CampbellUniversity of SouthamptonAdresse e-mail validée de soton.ac.uk
Lyndon EmsleyEcole Polytechnique Fédérale de Lausanne (EPFL)Adresse e-mail validée de epfl.ch
John BacsaEmory UniversityAdresse e-mail validée de emory.edu
Dave J. AdamsProfessor of Chemistry, University of GlasgowAdresse e-mail validée de glasgow.ac.uk
Edward O. Pyzer-KnappChief Scientific Officer | Editor in Chief, Applied AI LettersAdresse e-mail validée de xyme.ai
Axel ZeitlerProfessor of Microstructure Engineering, University of CambridgeAdresse e-mail validée de cam.ac.uk
Mark EddlestonUniversity of CambridgeAdresse e-mail validée de cam.ac.uk
Peter BygraveSenior Research Associate, University of BristolAdresse e-mail validée de bristol.ac.uk
Peter R. SpackmanCurtin UniversityAdresse e-mail validée de curtin.edu.au
Andrew StephensonPDRA, University of LiverpoolAdresse e-mail validée de liverpool.ac.uk

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Graeme M. Day

Professor of Chemical Modelling, University of Southampton

Adresse e-mail validée de soton.ac.uk - Page d'accueil

computational chemistry materials discovery crystal structure structure prediction


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016	641	2016
Improving mechanical properties of crystalline solids by cocrystal formation: new compressible forms of paracetamol S Karki, T Friščić, L Fábián, PR Laity, GM Day, W Jones Advanced Materials 21 (38‐39), 3905-3909, 2009	589	2009
A third blind test of crystal structure prediction GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, ... Acta Crystallographica Section B: Structural Science 61 (5), 511-527, 2005	541	2005
A Cocrystal Strategy to Tune the Luminescent Properties of Stilbene‐Type Organic Solid‐State Materials D Yan, A Delori, GO Lloyd, T Friščić, GM Day, W Jones, J Lu, M Wei, ... Angewandte Chemie, 2011	529	2011
Modular and predictable assembly of porous organic molecular crystals JTA Jones, T Hasell, X Wu, J Bacsa, KE Jelfs, M Schmidtmann, SY Chong, ... Nature 474 (7351), 367-371, 2011	500	2011
Significant progress in predicting the crystal structures of small organic molecules-a report on the fourth blind test GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ... Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009	496	2009
Towards crystal structure prediction of complex organic compounds-a report on the fifth blind test DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ... Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011	476	2011
Functional materials discovery using energy–structure–function maps A Pulido, L Chen, T Kaczorowski, D Holden, MA Little, SY Chong, ... Nature 543 (7647), 657-664, 2017	462	2017
Static and lattice vibrational energy differences between polymorphs J Nyman, GM Day CrystEngComm 17 (28), 5154-5165, 2015	431	2015
The prediction, morphology, and mechanical properties of the polymorphs of paracetamol T Beyer, GM Day, SL Price Journal of the American Chemical Society 123 (21), 5086-5094, 2001	370	2001
Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials SL Price, M Leslie, GWA Welch, M Habgood, LS Price, PG Karamertzanis, ... Physical Chemistry Chemical Physics 12 (30), 8478-8490, 2010	357	2010
Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation KL Nguyen, T Friščić, GM Day, LF Gladden, W Jones Nature materials 6 (3), 206-209, 2007	345	2007
Powder crystallography by combined crystal structure prediction and high-resolution 1H solid-state NMR spectroscopy E Salager, GM Day, RS Stein, CJ Pickard, B Elena, L Emsley Journal of the American Chemical Society 132 (8), 2564-2566, 2010	260	2010
Current approaches to predicting molecular organic crystal structures GM Day Crystallography Reviews 17 (1), 3-52, 2011	254	2011
Machine learning for the structure–energy–property landscapes of molecular crystals F Musil, S De, J Yang, JE Campbell, GM Day, M Ceriotti Chemical science 9 (5), 1289-1300, 2018	220	2018
De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography M Baias, JN Dumez, PH Svensson, S Schantz, GM Day, L Emsley Journal of the American Chemical Society 135 (46), 17501-17507, 2013	216	2013
Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals K Jie, M Liu, Y Zhou, MA Little, A Pulido, SY Chong, A Stephenson, ... Journal of the American Chemical Society 140 (22), 6921-6930, 2018	215	2018
Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis AM Belenguer, T Friščić, GM Day, JKM Sanders Chemical Science 2 (4), 696-700, 2011	212	2011
On–Off Porosity Switching in a Molecular Organic Solid JTA Jones, D Holden, T Mitra, T Hasell, DJ Adams, KE Jelfs, A Trewin, ... Angewandte Chemie 123 (3), 775-779, 2011	201	2011
Evaluating the energetic driving force for co-crystal formation CR Taylor, GM Day Crystal Growth & Design 18, 892-904, 2018	195	2018

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