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Prof Richard Catlow FRS

Room: 344

Internal telephone number: 30073

External telephone number: 02076790073

Email: C.R.A.Catlow

First Degree obtained from University of Oxford
Second Degree obtained from University of Oxford

Number of publications pre-2013: 775^*
h-index 70^*
(^*sourced from Web of Science)

Publications in 2013

1. Title: Band alignment of rutile and anatase TiO2
Author(s): Scanlon, David O.; Dunnill, Charles W.; Buckeridge, John; et al.
Source: NATURE MATERIALS Volume: 12 Issue: 9 Pages: 798-801 DOI: 10.1038/NMAT3697 Published: SEP 2013

2. Title: Limits to Doping of Wide Band Gap Semiconductors
Author(s): Walsh, Aron; Buckeridge, John; Catlow, C. Richard A.; et al.
Source: CHEMISTRY OF MATERIALS Volume: 25 Issue: 15 Pages: 2924-2926 DOI: 10.1021/cm402237s Published: AUG 13 2013

3. Title: The interaction of hydrogen with the {010} surfaces of Mg and Fe olivine as models for interstellar dust grains: a density functional theory study
Author(s): Downing, C. A.; Ahmady, B.; Catlow, C. R. A.; et al.
Source: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 371 Issue: 1994 Special Issue: SI Article Number: 20110592 DOI: 10.1098/rsta.2011.0592 Published: JUL 13 2013

4. Title: Dynamical response and instability in ceria under lattice expansion
Author(s): Buckeridge, J.; Scanlon, D. O.; Walsh, A.; et al.
Source: PHYSICAL REVIEW B Volume: 87 Issue: 21 Article Number: 214304 DOI: 10.1103/PhysRevB.87.214304 Published: JUN 17 2013

5. Title: Microscopic origin of the optical processes in blue sapphire
Author(s): Bristow, Jessica K.; Parker, Stephen C.; Catlow, C. Richard A.; et al.
Source: CHEMICAL COMMUNICATIONS Volume: 49 Issue: 46 Pages: 5259-5261 DOI: 10.1039/c3cc41506f Published: 2013

6. Title: Complementary mechanistic properties of Fe- and Mn-doped aluminophosphates in the catalytic aerobic oxidation of hydrocarbons
Author(s): Gomez-Hortigueela, Luis; Cora, Furio; Catlow, C. Richard A.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 15 Issue: 18 Pages: 6870-6874 DOI: 10.1039/c3cp51079d Published: 2013

7. Title: Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides
Author(s): Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; et al.
Source: DALTON TRANSACTIONS Volume: 42 Issue: 4 Pages: 935-940 DOI: 10.1039/c2dt31368e Published: 2013

8. Title: INORGANIC MATERIALS Intuition weaved into computation
Author(s): Catlow, Richard
Source: NATURE CHEMISTRY Volume: 5 Issue: 8 Pages: 648-649 DOI: 10.1038/nchem.1712 Published: AUG 2013

Publications in 2012

1. Title: Modeling the Polymerization of Aluminosilicate Clusters
Author(s): Yang, Chao-Shiang; Miguel Mora-Fonz, Jose; Catlow, C. Richard A.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 116 Issue: 42 Pages: 22121-22128 DOI: 10.1021/jp3049197 Published: OCT 25 2012

2. Title: Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons
Author(s): Dutta, Gargi; Sokol, Alexey A.; Catlow, C. Richard A.; et al.
Source: CHEMPHYSCHEM Volume: 13 Issue: 15 Pages: 3453-3456 DOI: 10.1002/cphc.201200517 Published: OCT 22 2012

3. Title: Introducing k-point parallelism into VASP
Author(s): Maniopoulou, Asimina; Davidson, Erlend R. M.; Grau-Crespo, Ricardo; et al.
Source: COMPUTER PHYSICS COMMUNICATIONS Volume: 183 Issue: 8 Pages: 1696-1701 DOI: 10.1016/j.cpc.2012.03.009 Published: AUG 2012

4. Title: Aerobic oxidation of hydrocarbons in Mn-doped aluminophosphates: a computational perspective to understand mechanism and selectivity
Author(s): Cora, Furio; Gomez-Hortigueela, Luis; Catlow, C. Richard A.
Source: PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 468 Issue: 2143 Pages: 2053-2069 DOI: 10.1098/rspa.2012.0046 Published: JUL 8 2012

5. Title: Controlling Bulk Conductivity in Topological Insulators: Key Role of Anti-Site Defects
Author(s): Scanlon, D. O.; King, P. D. C.; Singh, R. P.; et al.
Source: ADVANCED MATERIALS Volume: 24 Issue: 16 Pages: 2154-2158 DOI: 10.1002/adma.201200187 Published: APR 24 2012

6. Title: Mechanism and Energetics of Secondary Oxidation Reactions in the Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates
Author(s): Gomez-Hortigueela, Luis; Cora, Furio; Catlow, C. Richard A.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 116 Issue: 11 Pages: 6691-6702 DOI: 10.1021/jp301080f Published: MAR 22 2012

7. Title: Magnetic properties of Fe2GeMo3N; an experimental and computational study
Author(s): Battle, Peter D.; Sviridov, Lev A.; Woolley, Russell J.; et al.
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 22 Issue: 31 Pages: 15606-15613 DOI: 10.1039/c2jm32574h Published: 2012

8. Title: Prediction on the existence and chemical stability of cuprous fluoride
Author(s): Walsh, Aron; Catlow, C. Richard A.; Galvelis, Raimondas; et al.
Source: CHEMICAL SCIENCE Volume: 3 Issue: 8 Pages: 2565-2569 DOI: 10.1039/c2sc20321a Published: 2012

9. Title: Oxygen adsorption and dissociation on yttria stabilized zirconia surfaces
Author(s): Xia, Xin; Oldman, Richard J.; Catlow, C. Richard A.
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 22 Issue: 17 Pages: 8594-8612 DOI: 10.1039/c2jm16604f Published: 2012

10. Title: The effects of ligand variation on enantioselective hydrogenation catalysed by RuH2(diphosphine)(diamine) complexes
Author(s): Chen, Hsin-Yi Tiffany; Di Tommaso, Devis; Hogarth, Graeme; et al.
Source: DALTON TRANSACTIONS Volume: 41 Issue: 6 Pages: 1867-1877 DOI: 10.1039/c1dt11244a Published: 2012

Publications in 2011

1. Title: Stability and Structures of Aluminosilicate Clusters
Author(s): Yang Chao-Shiang; Mora-Fonz Jose Miguel; Catlow C. Richard A.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 115 Issue: 49 Pages: 24102-24114 DOI: 10.1021/jp202394w Published: DEC 15 2011

2. Title: Correlating Enantioselectivity with Activation Energies in the Asymmetric Hydrogenation of Acetophenone Catalysed by Noyori-Type Complexes
Author(s): Chen Hsin-Yi Tiffany; Di Tommaso Devis; Hogarth Graeme; et al.
Source: CATALYSIS LETTERS Volume: 141 Issue: 12 Pages: 1761-1766 DOI: 10.1007/s10562-011-0704-1 Published: DEC 2011

3. Title: Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (IV): Regeneration Mechanism
Author(s): Gomez-Hortigueela Luis; Cora Furio; Catlow C. Richard A.
Source: ACS CATALYSIS Volume: 1 Issue: 11 Pages: 1475-1486 DOI: 10.1021/cs200402b Published: NOV 2011

4. Title: Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (III): Propagation Mechanism
Author(s): Gomez-Hortigueela Luis; Cora Furio; Catlow C. Richard A.
Source: ACS CATALYSIS Volume: 1 Issue: 11 Pages: 1487-1497 DOI: 10.1021/cs200401f Published: NOV 2011

5. Title: Semiconducting oxides PREFACE
Author(s): Catlow Richard; Walsh Aron
Source: JOURNAL OF PHYSICS-CONDENSED MATTER Volume: 23 Issue: 33 Article Number: 330301 DOI: 10.1088/0953-8984/23/33/330301 Published: AUG 24 2011

6. Title: Electron and hole stability in GaN and ZnO
Author(s): Walsh Aron; Catlow C. Richard A.; Miskufova Martina; et al.
Source: JOURNAL OF PHYSICS-CONDENSED MATTER Volume: 23 Issue: 33 Article Number: 334217 DOI: 10.1088/0953-8984/23/33/334217 Published: AUG 24 2011

7. Title: Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates (II): Hydroperoxide Decomposition
Author(s): Gomez-Hortigueela Luis; Cora Furio; Catlow C. Richard A.
Source: ACS CATALYSIS Volume: 1 Issue: 8 Pages: 945-955 DOI: 10.1021/cs2001169 Published: AUG 2011

8. Title: High-performance computing in the chemistry and physics of materials INTRODUCTION
Author(s): Woodley Scott M.; Catlow C. Richard A.
Source: PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 467 Issue: 2131 Pages: 1880-1884 DOI: 10.1098/rspa.2011.0191 Published: JUL 8 2011

9. Title: Characterization of hydrogen dissociation over aluminium-doped zinc oxide using an efficient massively parallel framework for QM/MM calculations
Author(s): Keal Thomas W.; Sherwood Paul; Dutta Gargi; et al.
Source: PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 467 Issue: 2131 Pages: 1900-1924 DOI: 10.1098/rspa.2010.0613 Published: JUL 8 2011

10. Title: Are glycine cyclic dimers stable in aqueous solution?
Author(s): Hamad Said; Catlow C. Richard A.
Source: CRYSTENGCOMM Volume: 13 Issue: 13 Pages: 4391-4399 DOI: 10.1039/c0ce00877j Published: JUL 2011

11. Title: Free energy of defect formation: Thermodynamics of anion Frenkel pairs in indium oxide
Author(s): Walsh Aron; Sokol Alexey A.; Catlow C. Richard A.
Source: PHYSICAL REVIEW B Volume: 83 Issue: 22 Article Number: 224105 DOI: 10.1103/PhysRevB.83.224105 Published: JUN 21 2011

12. Title: Strontium migration assisted by oxygen vacancies in SrTiO(3) from classical and quantum mechanical simulations
Author(s): Walsh Aron; Catlow C. Richard A.; Smith Alastair G. H.; et al.
Source: PHYSICAL REVIEW B Volume: 83 Issue: 22 Article Number: 220301 DOI: 10.1103/PhysRevB.83.220301 Published: JUN 3 2011

13. Title: Probing the structure of complex solids using a distributed computing approach-Applications in zeolite science
Author(s): French Samuel A.; Coates Rosie; Lewis Dewi W.; et al.
Source: JOURNAL OF SOLID STATE CHEMISTRY Volume: 184 Issue: 6 Pages: 1484-1491 DOI: 10.1016/j.jssc.2011.04.010 Published: JUN 2011

14. Title: Control of the band-gap states of metal oxides by the application of epitaxial strain: The case of indium oxide
Author(s): Walsh Aron; Catlow C. Richard A.; Zhang K. H. L.; et al.
Source: PHYSICAL REVIEW B Volume: 83 Issue: 16 Article Number: 161202 DOI: 10.1103/PhysRevB.83.161202 Published: APR 12 2011

15. Title: Aerobic Oxidation of Hydrocarbons Catalyzed by Mn-Doped Nanoporous Aluminophosphates(I): Preactivation of the Mn Sites
Author(s): Gomez-Hortiguela, L; Cora, F; Catlow, CRA
Source: ACS CATALYSIS Volume: 1 Issue: 1 Pages: 18-28 Published: 2011

16. Title: Potential energy landscapes for anion Frenkel-pair formation in ceria and india
Author(s): Walsh, A; Woodley, SM; Catlow, CRA, et al.
Conference Information: EMRS Symposium on Solid State Ionics - Exploring Chemical and Structural Complexity of Novel Ion Conductors, Date: JUN 07-10, 2010 Strasbourg FRANCE
Source: SOLID STATE IONICS Volume: 184 Issue: 1 Pages: 52-56 Published: 2011

17. Title: Marshall Stoneham (1940-2011) OBITUARY
Author(s): Catlow, R; Fisher, A
Source: NATURE Volume: 471 Issue: 7338 Pages: 306-306 Published: 2011

18. Title: Microscopic origins of electron and hole stability in ZnO
Author(s): Catlow, CRA; Sokol, AA; Walsh, A
Source: CHEMICAL COMMUNICATIONS Volume: 47 Issue: 12 Pages: 3386-3388 Published: 2011

19. Title: trans-Fe-II(H)(2)(diphosphine)(diamine) complexes as alternative catalysts for the asymmetric hydrogenation of ketones? A DFT study
Author(s): Chen, HYT; Di Tommaso, D; Hogarth, G, et al.
Source: DALTON TRANSACTIONS Volume: 40 Issue: 2 Pages: 402-412 Published: 2011

Publications in 2010

1. Title: Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system
Author(s): King, HE; Stimpfl, M; Deymier, P, et al.
Source: EARTH AND PLANETARY SCIENCE LETTERS Volume: 300 Issue: 1-2 Pages: 11-18 Published: 2010

2. Title: Structure and Reactivity of Aluminum Oxide Supported Nickel Clusters
Author(s): Briquet, LGV; Catlow, CRA; French, SA
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 114 Issue: 50 Pages: 22155-22158 Published: 2010

3. Title: Catalytic Reaction Mechanism of Mn-Doped Nanoporous Aluminophosphates for the Aerobic Oxidation of Hydrocarbons
Author(s): Gomez-Hortiguela, L; Cora, F; Sankar, G, et al.
Source: CHEMISTRY-A EUROPEAN JOURNAL Volume: 16 Issue: 46 Pages: 13638-13645 Published: 2010

4. Title: Where on Earth has our water come from?
Author(s): de Leeuw, NH; Catlow, CRA; King, HE, et al.
Source: CHEMICAL COMMUNICATIONS Volume: 46 Issue: 47 Pages: 8923-8925 Published: 2010

5. Title: Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory
Author(s): Walsh, A; Catlow, CRA
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 20 Issue: 46 Pages: 10438-10444 Published: 2010
6. Title: Surface Energies Control the Self-Organization of Oriented In2O3 Nanostructures on Cubic Zirconia
Author(s): Zhang KHL, Walsh A, Catlow CRA, et al.
Source: NANO LETTERS Volume: 10 Issue: 9 Pages: 3740-3746 Published: SEP 2010

7. Title: Themed issue: Solid state and cluster structure prediction
Author(s): Woodley SM, Catlow R
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8436-8437 Published: 2010

8. Title: On the problem of cluster structure diversity and the value of data mining
Author(s): Sokol AA, Catlow CRA, Miskufova M, et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8438-8445 Published: 2010

9. Title: Exploration of multiple energy landscapes for zirconia nanoclusters
Author(s): Woodley SM, Hamad S, Catlow CRA
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8454-8465 Published: 2010

10. Title: Photostimulated Reduction Processes in a Titania Hybrid Metal-Organic Framework
Author(s): Walsh A, Catlow CRA
Source: CHEMPHYSCHEM Volume: 11 Issue: 11 Pages: 2341-2344 Published: AUG 2 2010

11. Title: Energy materials to combat climate change PREFACE
Author(s): Bruce P, Catlow R, Edwards P
Source: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 368 Issue: 1923 Pages: 3225-3225 Published: JUL 28 2010

12. Title: Advances in computational studies of energy materials
Author(s): Catlow CRA, Guo ZX, Miskufova M, et al.
Source: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 368 Issue: 1923 Pages: 3379-3456 Published: JUL 28 2010

13. Title: Oxygen interstitial structures in close-packed metal oxides
Author(s): Sokol AA, Walsh A, Catlow CRA
Source: CHEMICAL PHYSICS LETTERS Volume: 492 Issue: 1-3 Pages: 44-48 Published: MAY 26 2010

14. Title: The Royal Institution: two centuries of impact
Author(s): Catlow R
Source: CHEMISTRY WORLD Volume: 7 Issue: 3 Pages: 41-41 Published: MAR 2010

15. Title: Computational Study of Carbonyl Sulphide Formation on Model Interstellar Dust Grains
Author(s): Adriaens DA, Goumans TPM, Catlow CRA, et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 114 Issue: 4 Pages: 1892-1900 Published: FEB 4 2010

16. Title: Modelling nano-clusters and nucleation
Author(s): Catlow CRA, Bromley ST, Hamad S, et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 4 Pages: 786-811 Published: 2010

Publications in 2009

1. Title: Role of Germanium on the Nucleation and Growth of Zeolite A from Clear Solutions As Studied by in Situ Small-Angle X-ray Scattering, Wide-Angle X-ray Scattering, and Dynamic Light Scattering
Author(s): O'Brien MG, Beale AM, Kuipers BWM, et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 113 Issue: 43 Pages: 18614-18622 Published: OCT 29 2009

2. Title: Physical Properties, Intrinsic Defects, and Phase Stability of Indium Sesquioxide
Author(s): Walsh A, Catlow CRA, Sokol AA, et al.
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 20 Pages: 4962-4969 Published: OCT 27 2009

3. Title: Experimental and computational studies of ZnS nanostructures
Author(s): Hamad S, Woodley SM, Catlow CRA
Source: MOLECULAR SIMULATION Volume: 35 Issue: 12-13 Pages: 1015-1032 Published: 2009

4. Title: Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces
Author(s): Briquet LGV, Catlow CRA, French SA
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 113 Issue: 38 Pages: 16747-16756 Published: SEP 24 2009

5. Title: Computational Modeling Study of Bulk and Surface of Yttria-Stabilized Cubic Zirconia
Author(s): Xia X, Oldman R, Catlow R
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 15 Pages: 3576-3585 Published: AUG 11 2009

6. Title: Structure prediction of titania phases: Implementation of Darwinian versus Lamarckian concepts in an Evolutionary Algorithm
Author(s): Woodley, SM; Catlow, CRA
Source: COMPUTATIONAL MATERIALS SCIENCE Volume: 45 Issue: 1 Pages: 84-95 Published: 2009
Conference Title: E-MRS 2007 Fall Meeting Symposium on Genetic Algorithms in Materials Science and Engineering Conference Date: SEP 16-21, 2007 Conference Location: Warsaw, POLAND

7. Title: Construction of nano- and microporous frameworks from octahedral bubble clusters
Author(s): Woodley, SM; Watkins, MB; Sokol, AA; et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 17 Pages: 3176-3185 Published: 2009

8. Title: Bubbles and microporous frameworks of silicon carbide
Author(s): Watkins, MB; Shevlin, SA; Sokol, AA; et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 17 Pages: 3186-3200 Published: 2009

9. Title: Combined experimental and computational modelling studies of the solubility of nickel in strontium titanate
Author(s): Beale, AM; Paul, M; Sankar, G; et al.
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 19 Issue: 25 Pages: 4391-4400 Published: 2009

10. Title: An embedded cluster study of the formation of water on interstellar dust grains
Author(s): Goumans, TPM; Catlow, CRA; Brown, WA; et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 26 Pages: 5431-5436 Published: 2009

Publications in 2008

1. Title: Molecular dynamics simulation of temperature-induced structural changes in cristobalite, coesite and amorphous silica
Author(s): Takada, A; Richet, P; Catlow, CRA; et al.
Source: JOURNAL OF NON-CRYSTALLINE SOLIDS Volume: 354 Issue: 2-9 Pages: 181-187 Published: 2008 Conference Title: 11th International Conference on the Physics of Non-Crystalline Solids Conference Date: OCT 29-NOV 03, 2006 Conference Location: Rhodes Isl, GREECE

2. Title: Heteroatom-substituted microporous AFI and ATS structured materials for hydrocarbon trap: An insight into the aluminophosphate framework-toluene interaction
Author(s): Dorner, RW; Deifallah, M; Catlow, CRA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 11 Pages: 4187-4194 Published: 2008

3. Title: Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters
Author(s): Shevlin, SA; Guo, ZX; van Dam, HJJ; et al.
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 10 Issue: 14 Pages: 1944-1959 Published: 2008

4. Title: Solid phases of cyclopentane: Combined experimental and simulation study
Author(s): Torrisi, A; Leech, CK; Shankland, K; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 112 Issue: 12 Pages: 3746-3758 Published: 2008

5. Title: Computational study of the factors controlling enantioselectivity in ruthenium(II) hydrogenation catalysts
Author(s): Di Tommaso, D; French, SA; Zanotti-Gerosa, A; et al.
Source: INORGANIC CHEMISTRY Volume: 47 Issue: 7 Pages: 2674-2687 Published: 2008

6. Title: Hybrid QM/MM investigations into the structure and properties of oxygen-donating species in TS-1
Author(s): To, J; Sokol, AA; French, SA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 18 Pages: 7173-7185 Published: 2008

7. Title: The growth of copper clusters over ZnO: The competition between planar and polyhedral clusters
Author(s): French, SA; Sokol, AA; Catlow, CRA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 19 Pages: 7420-7430 Published: 2008

8. Title: Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation
Author(s): Hamad, S; Hughes, CE; Catlow, CRA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 112 Issue: 24 Pages: 7280-7288 Published: 2008

9. Title: Defect structures in the silver halides
Author(s): Wilson, DJ; Sokol, AA; French, SA; et al.
Source: PHYSICAL REVIEW B Volume: 77 Issue: 6 Published: 2008

10. Title: The mechanism of propane oxidation over iron antimony oxide
Author(s): Zhang, C; Catlow, CRA
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 26 Pages: 9783-9797 Published: 2008

11. Title: Redox behavior of the model catalyst Pd/CeO2-x/Pt(111)
Author(s): Wilson, EL; Grau-Crespo, R; Pang, CL; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 29 Pages: 10918-10922 Published: 2008

12. Title: Zinc oxide: A case study in contemporary computational solid state chemistry
Author(s): Catlow, CRA; French, SA; Sokol, AA; et al.
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 29 Issue: 13 Pages: 2234-2249 Published: 2008

13. Title: Computational modeling study of the solubility of cerium at LaCoO3 perovskite surfaces
Author(s): Khan, S; Oldman, RJ; Catlow, CRA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 32 Pages: 12310-12320 Published: 2008

14. Title: A general purpose package (MADFOMS) for predicting the morphologies and powder X-ray diffraction patterns of molecular crystals
Author(s): Coombes, DS; Catlow, CRA; Slater, B
Source: MOLECULAR SIMULATION Volume: 34 Issue: 9 Pages: 873-877 Published: 2008

15. Title: A multilateral mechanistic study into asymmetric transfer hydrogenation in water
Author(s): Wu, XF; Liu, JK; Di Tommaso, D; et al.
Source: CHEMISTRY-A EUROPEAN JOURNAL Volume: 14 Issue: 25 Pages: 7699-7715 Published: 2008

16. Title: Catalysis of addition reactions by a negatively charged silica surface site on a dust grain
Author(s): Goumans, TPM; Catlow, CRA; Brown, WA
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 39 Pages: 15419-15422 Published: 2008

17. Title: The mechanism of propene oxidation to acrolein on iron antimony oxide
Author(s): Zhang, CJ; Catlow, CRA
Source: JOURNAL OF CATALYSIS Volume: 259 Issue: 1 Pages: 17-25 Published: 2008

18. Title: Two million hours of science
Author(s): Greaves, GN; Catlow, CRA; Derbyshire, GE; et al.
Source: NATURE MATERIALS Volume: 7 Issue: 11 Pages: 827-830 Published: 2008

19. Title: H-Bond interactions between silicates and water during zeolite pre-nucleation
Author(s): Mora-Fonz, MJ; Catlow, CRA; Lewis, DW
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 10 Issue: 43 Pages: 6571-6578 Published: 2008

20. Title: Crystal structure prediction from first principles
Author(s): Woodley, SM; Catlow, R
Source: NATURE MATERIALS Volume: 7 Issue: 12 Pages: 937-946 Published: 2008

21. Title: Structures of Zinc Oxide Nanoclusters: As Found by Revolutionary Algorithm Techniques
Author(s): Al-Sunaidi, AA; Sokol, AA; Catlow, CRA; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 48 Pages: 18860-18875 Published: 2008

22. Title: Comparison of the Adsorption of Ni, Pd, and Pt on the (0001) Surface of alpha-Alumina
Author(s): Briquet, LGV; Catlow, CRA; French, SA
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 48 Pages: 18948-18954 Published: 2008

Materials Chemistry

@ The Kathleen Lonsdale Building

Prof Richard Catlow FRS