Graeme M. Day
Graeme M. Day
Professor of Chemical Modelling, University of Southampton
Verified email at soton.ac.uk - Homepage
TitleCited byYear
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
4192005
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
3772009
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
3732009
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
3302011
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
3132011
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
2872011
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
2742001
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
2462007
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
2262010
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
2122016
Static and lattice vibrational energy differences between polymorphs
J Nyman, GM Day
CrystEngComm 17 (28), 5154-5165, 2015
1702015
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
1692010
Current approaches to predicting molecular organic crystal structures
GM Day
Crystallography Reviews 17 (1), 3-52, 2011
1562011
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
1492006
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
1382011
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
1192017
Beyond the isotropic atom model in crystal structure prediction of rigid molecules: atomic multipoles versus point charges
GM Day, WDS Motherwell, W Jones
Crystal growth & design 5 (3), 1023-1033, 2005
1182005
Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy
M Baias, CM Widdifield, JN Dumez, HPG Thompson, TG Cooper, ...
Physical Chemistry Chemical Physics 15 (21), 8069-8080, 2013
1102013
Structure calculation of an elastic hydrogel from sonication of rigid small molecule components
KM Anderson, GM Day, MJ Paterson, P Byrne, N Clarke, JW Steed
Angewandte Chemie 120 (6), 1074-1078, 2008
1082008
Elastic constant calculations for molecular organic crystals
GM Day, SL Price, M Leslie
Crystal Growth & Design 1 (1), 13-27, 2001
1062001
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