| 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 | 702 | 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 | 617 | 2009 |
| 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 | 561 | 2011 |
| 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 | 559 | 2005 |
| 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 | 533 | 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 | 528 | 2009 |
| 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 | 517 | 2017 |
| 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 | 510 | 2011 |
| Static and lattice vibrational energy differences between polymorphs J Nyman, GM Day CrystEngComm 17 (28), 5154-5165, 2015 | 490 | 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 | 390 | 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 | 378 | 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 | 362 | 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 | 273 | 2010 |
| Current approaches to predicting molecular organic crystal structures GM Day Crystallography Reviews 17 (1), 3-52, 2011 | 272 | 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 | 239 | 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 | 238 | 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 | 230 | 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 | 225 | 2011 |
| Evaluating the energetic driving force for co-crystal formation CR Taylor, GM Day Crystal Growth & Design 18, 892-904, 2018 | 221 | 2018 |
| Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape HPG Thompson, GM Day Chemical Science 5, 3173-3182, 2014 | 219 | 2014 |
Andrew I. CooperUniversity of LiverpoolVerified email at liv.ac.uk
