Graeme M. Day

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	Toate	Din 2020
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Andrew I. CooperUniversity of LiverpoolAdresă de e-mail confirmată pe liv.ac.uk
Marc A. LittleUniversity of LiverpoolAdresă de e-mail confirmată pe liverpool.ac.uk
Tomislav FriscicUniversity of BirminghamAdresă de e-mail confirmată pe bham.ac.uk
Sam ChongUniversity of LiverpoolAdresă de e-mail confirmată pe liverpool.ac.uk
Kim E JelfsProfessor of Computational Materials Chemistry at Imperial College LondonAdresă de e-mail confirmată pe imperial.ac.uk
Rob ClowesUniversity of LiverpoolAdresă de e-mail confirmată pe liverpool.ac.uk
Tom HasellUniversity of LiverpoolAdresă de e-mail confirmată pe liv.ac.uk
Aurora J. Cruz-CabezaUniversity of DurhamAdresă de e-mail confirmată pe durham.ac.uk
Angeles PulidoCressetAdresă de e-mail confirmată pe cresset-group.com
Jonas NymanThe Cambridge Crystallographic Data CentreAdresă de e-mail confirmată pe ccdc.cam.ac.uk
Josh E. CampbellUniversity of SouthamptonAdresă de e-mail confirmată pe soton.ac.uk
Lyndon EmsleyEcole Polytechnique Fédérale de Lausanne (EPFL)Adresă de e-mail confirmată pe epfl.ch
John BacsaEmory UniversityAdresă de e-mail confirmată pe emory.edu
Dave J. AdamsProfessor of Chemistry, University of GlasgowAdresă de e-mail confirmată pe glasgow.ac.uk
Edward O. Pyzer-KnappChief Scientific Officer | Editor in Chief, Applied AI LettersAdresă de e-mail confirmată pe xyme.ai
Axel ZeitlerProfessor of Microstructure Engineering, University of CambridgeAdresă de e-mail confirmată pe cam.ac.uk
Mark EddlestonUniversity of CambridgeAdresă de e-mail confirmată pe cam.ac.uk
Peter BygraveSenior Research Associate, University of BristolAdresă de e-mail confirmată pe bristol.ac.uk
Peter R. SpackmanCurtin UniversityAdresă de e-mail confirmată pe curtin.edu.au
Andrew StephensonPDRA, University of LiverpoolAdresă de e-mail confirmată pe liverpool.ac.uk

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Graeme M. Day

Professor of Chemical Modelling, University of Southampton

Adresă de e-mail confirmată pe soton.ac.uk - Pagina de pornire

computational chemistry materials discovery crystal structure structure prediction


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
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	642	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	591	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	502	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	464	2017
Static and lattice vibrational energy differences between polymorphs J Nyman, GM Day CrystEngComm 17 (28), 5154-5165, 2015	433	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	372	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	358	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	255	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	221	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	196	2018

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