Graeme M. Day
Graeme M. Day
Professor of Chemical Modelling, University of Southampton
Verified email at - Homepage
Cited by
Cited by
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
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
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
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
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
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
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
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
Static and lattice vibrational energy differences between polymorphs
J Nyman, GM Day
CrystEngComm 17 (28), 5154-5165, 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
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
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
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
Current approaches to predicting molecular organic crystal structures
GM Day
Crystallography Reviews 17 (1), 3-52, 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
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
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
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
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
Understanding the influence of polymorphism on phonon spectra: Lattice dynamics calculations and terahertz spectroscopy of carbamazepine
GM Day, JA Zeitler, W Jones, T Rades, PF Taday
The Journal of Physical Chemistry B 110 (1), 447-456, 2006
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