Dr David Willock
“The (010) surface of α-MoO3, a DFT+U study”, Rudy Coquet and David J. Willock, Phys. Chem. Chem. Phys., 7, 3819 – 3828, (2005). DOI: 10.1039/b511044k
“Calculations on the adsorption of Au to MgO surfaces using SIESTA”, R.Coquet, G.J.Hutchings, S.H.Taylor and David J. Willock, J. Mater. Chem., 16, 1978 – 1988, (2006). DOI: 10.1039/b601213b
“Hydrochlorination of acetylene using a supported gold catalyst: A study of the reaction mechanism”, Marco Conte, Albert F Carley, Clare Hierene; David J Willock, Peter Johnston, Andrew Herzing, Christopher J Kiely, Graham J Hutchings, J. Catal., 250, 231-239, (2007). DOI: 10.1016/j.jcat.2007.06.018
“The role of organic templates in controlling zeolite crystal morphology”, K. E. Jelfs, B. Slater, D. W. Lewis, D., J. Willock, Studies in Surface Science and Catalysis, 170, 1685 -1692, (2007). ISBN: 9780444530684.
“Discrimination of geometrical epoxide isomers by ENDOR & DFT; The role of H-bonds.”, Damien M. Murphy, Ian A. Fallis, David J. Willock, James Landon, Emma Carter, Sabine Van Doorslaer, Evi Vinck. Angew. Chemie-Int. Ed., 47, 1414-1416, (2008). DOI: 10.1002/anie.200703537
“A Group 13 / Group 17 Analog of CO and N2: Coordinative Trapping of the GaI Molecule”, Natalie D. Coombs, William Clegg, David J. Willock and Simon Aldridge, J. Am. Chem. Soc., 130, 5449–5451, (2008). DOI: 10.1021/jp806397f
“Atomistic Simulation of Micropore Structure, Surface Area and Gas Sorption Properties for Amorphous Microporous Polymer Networks.”, Abbie Trewin, David J. Willock and Andrew L. Cooper., J. Phys. Chem. C, 112 (51), 20549–20559, (2008). DOI: 10.1021/jp806397f
“Enantioselective binding of structural epoxide isomers by a chiral vanadyl Salen complex; A pulsed EPR, cw-ENDOR and DFT investigation”, Damien M. Murphy, Ian A. Fallis, Emma Carter, David J. Willock, James Landon, Sabine Van Doorslaer and Evi Vinck, PCCP, 11, 6757-6769, (2009). DOI: 10.1039/b907807j