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Patrick McCabe
Patrick McCabe
CCDC
Verified email at ccdc.cam.ac.uk
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Cited by
Cited by
Year
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
94442008
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
76582006
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
38012002
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
30152020
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
5782016
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
5332010
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
1552011
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
831999
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
801997
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
671998
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
642018
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
551993
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
521996
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
452018
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
412014
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
371998
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
341997
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
311995
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
272001
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
262017
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