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Physical Chemistry Chemical Physics : PCCP|December 17, 2005
The (010) surface of alpha-MoO3, a DFT + U studyRudy Coquet, David J Willock
Chemical Society Reviews|September 3, 2008
Theory and simulation in heterogeneous gold catalysisRudy Coquet, Kara L Howard, David J Willock
Physical Chemistry Chemical Physics : PCCP|November 16, 2007
Energy-gaining formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation by DFT calculationsRudy Coquet, Mizuki Tada, Yasuhiro Iwasawa
Faraday Discussions|March 30, 2012
A periodic DFT study of the activation of O2 by Au nanoparticles on α-Fe2O3Kara L Howard, David J Willock
Physical Chemistry Chemical Physics : PCCP|November 22, 2014
Modelling analysis of the structure and porosity of covalent triazine-based frameworksChristian Reece, David J Willock, Abbie Trewin
Chemical Communications (Cambridge, England)|November 9, 2007
Low-temperature PROX (preferential oxidation) on novel CeO(2)-supported Cu-cluster catalysts under fuel-cell operating conditionsMizuki Tada, Rajaram Bal, Xindong Mu, et al.
Faraday Discussions|June 1, 2018
The electronic properties of Au clusters on CeO<sub>2</sub> (110) surface with and without O-defectsArunabhiram Chutia, David J Willock, C Richard A Catlow
Journal of the American Chemical Society|June 6, 2003
Cationic terminal borylenes by halide abstraction: synthesis and spectroscopic and structural characterization of an Fe=B double bondDeborah L Coombs, Simon Aldridge, Cameron Jones, et al.
Dalton Transactions (Cambridge, England : 2003)|October 30, 2004
Carbonyl analogues? Analysis of Fe-E (E=B, Al, Ga) bonding in cationic terminal diyl complexes by density functional theorySimon Aldridge, Andrea Rossin, Deborah L Coombs, et al.
The Journal of Pharmacy and Pharmacology|August 17, 2005
Explaining the phase behaviour of the pharmaceutically relevant polymers poly(ethylene glycol) and poly(vinyl pyrrolidone) in semi-fluorinated liquidsAlison Paul, Peter C Griffiths, Robert James, et al.
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