| A test of crystal structure prediction of small organic molecules JPM Lommerse, WDS Motherwell, HL Ammon, JD Dunitz, A Gavezzotti, ... Acta Crystallographica Section B: Structural Science 56 (4), 697-714, 2000 | 615 | 2000 |
| 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 | 578 | 2016 |
| Crystal structure prediction of small organic molecules: a second blind test WDS Motherwell, HL Ammon, JD Dunitz, A Dzyabchenko, P Erk, ... Acta Crystallographica Section B: Structural Science 58 (4), 647-661, 2002 | 535 | 2002 |
| 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 | 526 | 2005 |
| 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 | 472 | 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 | 454 | 2011 |
| A major advance in crystal structure prediction MA Neumann, FJJ Leusen, J Kendrick Angewandte Chemie International Edition 47 (13), 2427-2430, 2008 | 354 | 2008 |
| PowderSolve–a complete package for crystal structure solution from powder diffraction patterns GE Engel, S Wilke, O König, KDM Harris, FJJ Leusen Journal of applied crystallography 32 (6), 1169-1179, 1999 | 328 | 1999 |
| Computer simulation to predict possible crystal polymorphs P Verwer, FJJ Leusen Reviews in computational chemistry, 327-365, 1998 | 193 | 1998 |
| Crystal structures of quinacridones EF Paulus, FJJ Leusen, MU Schmidt CrystEngComm 9 (2), 131-143, 2007 | 184 | 2007 |
| Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and … HCS Chan, J Kendrick, MA Neumann, FJJ Leusen CrystEngComm 15 (19), 3799-3807, 2013 | 127 | 2013 |
| Modeling the interplay of inter-and intramolecular hydrogen bonding in conformational polymorphs PG Karamertzanis, GM Day, GWA Welch, J Kendrick, FJJ Leusen, ... The Journal of chemical physics 128 (24), 2008 | 93 | 2008 |
| Progress in crystal structure prediction J Kendrick, FJJ Leusen, MA Neumann, J Van De Streek Chemistry–A European Journal 17 (38), 10736-10744, 2011 | 91 | 2011 |
| Ab initio prediction of polymorphs FJJ Leusen Journal of crystal growth 166 (1-4), 900-903, 1996 | 91 | 1996 |
| Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals A Asmadi, MA Neumann, J Kendrick, P Girard, MA Perrin, FJJ Leusen The Journal of Physical Chemistry B 113 (51), 16303-16313, 2009 | 87 | 2009 |
| A study of different approaches to the electrostatic interaction in force field methods for organic crystals S Brodersen, S Wilke, FJJ Leusen, G Engel Physical Chemistry Chemical Physics 5 (21), 4923-4931, 2003 | 80 | 2003 |
| Crystal structure prediction of diastereomeric salts: a step toward rationalization of racemate resolution FJJ Leusen Crystal growth & design 3 (2), 189-192, 2003 | 69 | 2003 |
| Continuous similarity measure between nonoverlapping X‐ray powder diagrams of different crystal modifications HR Karfunkel, B Rohde, FJJ Leusen, RJ Gdanitz, G Rihs Journal of computational chemistry 14 (10), 1125-1135, 1993 | 65 | 1993 |
| Molecule VI, a Benchmark Crystal‐Structure‐Prediction Sulfonimide: Are Its Polymorphs Predictable? HCS Chan, J Kendrick, FJJ Leusen Angewandte Chemie International Edition 50 (13), 2979-2981, 2011 | 64 | 2011 |
| The ab initio prediction of yet unknown molecular crystal structures by solving the crystal packing problem HR Karfunkel, FJJ Leusen, RJ Gdanitz Journal of Computer-Aided Materials Design 1, 177-185, 1994 | 62 | 1994 |
John KendrickVisiting Lecturer, University of LeedsVerified email at kendrick.me.uk
