Patrick McCabe
Patrick McCabe
CCDC
Verified email at ccdc.cam.ac.uk
Title
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
79132008
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
63252006
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
32902002
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
6352020
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), 1658-1669, 2010
4162010
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
3532016
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
992011
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
781999
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
771997
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
681998
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
501993
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
481996
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
341998
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
321995
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
311997
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
302014
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
292018
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
182017
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
162018
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Articles 1–20