John Kendrick
John Kendrick
Visiting Lecturer, University of Leeds
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Cited by
Cited by
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
P Sherwood, AH de Vries, MF Guest, G Schreckenbach, CRA Catlow, ...
Journal of Molecular Structure: THEOCHEM 632 (1-3), 1-28, 2003
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
The GAMESS-UK electronic structure package: algorithms, developments and applications
MF Guest*, IJ Bush, HJJ Van Dam, P Sherwood, JMH Thomas, ...
Molecular physics 103 (6-8), 719-747, 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
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
A major advance in crystal structure prediction
MA Neumann, FJJ Leusen, J Kendrick
Angewandte Chemie International Edition 47 (13), 2427-2430, 2008
Cooperative mechanisms of fast-ion conduction in gallium-based oxides with tetrahedral moieties
E Kendrick, J Kendrick, KS Knight, MS Islam, PR Slater
Nature materials 6 (11), 871-875, 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
Theoretical studies of protons in sodium hydroxide
P Saul, CRA Catlow, J Kendrick
Philosophical Magazine B 51 (2), 107-117, 1985
GAMESS User manual
MF Guest, J Kendrick
Daresbury Laboratory, Daresbury, 1986
Observation of vibrational asymmetry in the high resolution monochromatized XPS of hydrocarbon polymers
G Beamson, DT Clark, J Kendrick, D Briggs
Journal of electron spectroscopy and related phenomena 57 (1), 79-90, 1991
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
Progress in crystal structure prediction
J Kendrick, FJJ Leusen, MA Neumann, J Van De Streek
Chemistry–A European Journal 17 (38), 10736-10744, 2011
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
A general approach to the optimization of the conformation of ring molecules with an application to valinomycin
R Lavery, I Parker, J Kendrick
Journal of Biomolecular Structure and Dynamics 4 (3), 443-462, 1986
GAMESS-UK User’s Guide and Reference Manual
MF Guest, J Kendrick, JH Van Lenthe, P Sherwood
Computing for Science Ltd., Daresbury Laboratory, Warrington, England, 1993
Surface-hopping trajectory calculations of collision-induced dissociation processes with and without charge transfer
PJ Kuntz, J Kendrick, WN Whitton
Chemical Physics 38 (2), 147-160, 1979
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
Configuration interaction calculations of the Auger spectrum of CH4, HF, H2O and CO
IH Hillier, J Kendrick
Molecular Physics 31 (3), 849-853, 1976
voll, MS; Fahmi, A.; Schafer, A.; Lennartz, C
P Sherwood, AH de Vries, MF Guest, G Schreckenbach, CRA Catlow, ...
QUASI: A general purpose implementation of the QM/MM Approach and its …, 2003
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