| Mercury CSD 2.0–new features for the visualization and investigation of crystal structures CF Macrae, IJ Bruno, JA Chisholm, PR Edgington, P McCabe, E Pidcock, ... Journal of Applied Crystallography 41 (2), 466-470, 2008 | 9449 | 2008 |
| Mercury: visualization and analysis of crystal structures CF Macrae, PR Edgington, P McCabe, E Pidcock, GP Shields, R Taylor, ... Journal of applied crystallography 39 (3), 453-457, 2006 | 7661 | 2006 |
| New software for searching the Cambridge Structural Database and visualizing crystal structures IJ Bruno, JC Cole, PR Edgington, M Kessler, CF Macrae, P McCabe, ... Acta Crystallographica Section B: Structural Science 58 (3), 389-397, 2002 | 3806 | 2002 |
| Mercury 4.0: from visualization to analysis, design and prediction CF Macrae, I Sovago, SJ Cottrell, PTA Galek, P McCabe, E Pidcock, ... Journal of applied crystallography 53 (1), 226-235, 2020 | 3030 | 2020 |
| 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 |
| Intensive lowering of LDL cholesterol with 80 mg versus 20 mg simvastatin daily in 12,064 survivors of myocardial infarction: a double-blind randomised trial. J Armitage, L Bowman, K Wallendszus, R Bulbulia, K Rahimi, R Haynes, ... Lancet (London, England) 376 (9753), 2010 | 533 | 2010 |
| New software for statistical analysis of Cambridge Structural Database data RA Sykes, P McCabe, FH Allen, GM Battle, IJ Bruno, PA Wood Journal of Applied Crystallography 44 (4), 882-886, 2011 | 155 | 2011 |
| Nearside–farside analysis of state-selected differential cross sections for reactive molecular collisions AJ Dobbyn, P McCabe, JNL Connor, JF Castillo Physical Chemistry Chemical Physics 1 (6), 1115-1124, 1999 | 83 | 1999 |
| Coupled potential-energy surfaces and quantum reactive scattering for the Cl (2 P)+ HCl→ ClH+ Cl (2 P) reaction CS Maierle, GC Schatz, MS Gordon, P McCabe, JNL Connor Journal of the Chemical Society, Faraday Transactions 93 (5), 709-720, 1997 | 80 | 1997 |
| Quantum scattering studies of spin–orbit effects in the Cl (2 P)+ HCl→ ClH+ Cl (2 P) reaction GC Schatz, P McCabe, JNL Connor Faraday Discussions 110, 139-157, 1998 | 67 | 1998 |
| Knowledge-based conformer generation using the Cambridge structural database JC Cole, O Korb, P McCabe, MG Read, R Taylor Journal of Chemical Information and Modeling 58 (3), 615-629, 2018 | 64 | 2018 |
| Nearside—farside analysis of angular scattering in elastic, inelastic and reactive molecular collisions JNL Connor, P McCabe, D Sokolovski, GC Schatz Chemical physics letters 206 (1-4), 119-122, 1993 | 55 | 1993 |
| Nearside–farside analysis of differential cross sections: Diffraction and rainbow scattering in atom–atom and atom–molecule rotationally inelastic sudden collisions P McCabe, JNL Connor The Journal of chemical physics 104 (6), 2297-2311, 1996 | 52 | 1996 |
| Crystal structure prediction of flexible pharmaceutical-like molecules: density functional tight-binding as an intermediate optimisation method and for free energy estimation L Iuzzolino, P McCabe, SL Price, JG Brandenburg Faraday discussions 211, 275-296, 2018 | 45 | 2018 |
| Knowledge-based libraries for predicting the geometric preferences of druglike molecules R Taylor, J Cole, O Korb, P McCabe Journal of Chemical Information and Modeling 54 (9), 2500-2514, 2014 | 41 | 2014 |
| Nearside–farside analysis of differential cross sections: rotationally inelastic scattering using associated Legendre functions of the first and second kinds P McCabe, JNL Connor, D Sokolovski The Journal of chemical physics 108 (14), 5695-5703, 1998 | 37 | 1998 |
| Computation of Jacobi functions of the second kind for use in nearside-farside scattering theory J Wimp, P McCabe, JNL Connor Journal of computational and applied mathematics 82 (1-2), 447-464, 1997 | 34 | 1997 |
| A theoretical study of the NH+ NO reaction KS Bradley, P McCabe, GC Schatz, SP Walch The Journal of chemical physics 102 (17), 6696-6705, 1995 | 31 | 1995 |
| Nearside–farside analysis of differential cross sections using Jacobi functions of the first and second kinds: Application to rotationally inelastic scattering P McCabe, JNL Connor, D Sokolovski The Journal of Chemical Physics 114 (12), 5194-5206, 2001 | 27 | 2001 |
| Use of crystal structure informatics for defining the conformational space needed for predicting crystal structures of pharmaceutical molecules L Iuzzolino, AM Reilly, P McCabe, SL Price Journal of Chemical Theory and Computation 13 (10), 5163-5171, 2017 | 26 | 2017 |
