Charles Richard Arthur Catlow - Selected publications#

Professor Catlow has more than 800 publications, about 200 since 2002; his H-index is 70.

Sherwood P; de Vries AH; Guest MF; Schreckenbach, G; Catlow CRA; French, SA; Sokol, AA; Bromley ST; Thiel, W; Turner, AJ; QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis; Journal of Molecular Structure-Theochem 632, 1-28 (2003).

CRA Catlow, B Smit and RA van Santen (eds. ) , Computer Modelling of Microporous Materials Academic Press, Elsevier, 2004

Sayle TXT; Catlow CRA; Maphanga RR; Ngoepe, PE; Sayle, DC; Generating MnO2 nanoparticles using simulated amorphization and recrystallization; Journal of the American Chemical Society 127, 12828-12837 (2005).

Sokol, AA; French, SA; Bromley, ST; et al., Point defects in ZnO, FARADAY DISCUSSIONS 134, 267-282 (2007).

Woodley SM; Catlow R, Crystal structure prediction from first principles: Nature Materials: 7, 937- 946 (2008).

Gomez-Hortiguela L; Cora F; Sankar, G; Zicovich-Wilson, C M; Catlow CRA; Catalytic Reaction Mechanism of Mn-Doped Nanoporous Aluminophosphates for the Aerobic Oxidation of Hydrocarbons; Chemistry - A European Journal 16, 13638-13645 (2010).

Catlow, C R A.; Bromley, Stefan T.; Hamad, Said; Mora-Fonz M.; Sokol AA, Woodley SM, Modelling nano-clusters and nucleation, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 786-811 (2010).

Yang, C-S; Mora-Fonz, J M; Catlow, C R A; Stability and Structures of Aluminosilicate Clusters, JOURNAL OF PHYSICAL CHEMISTRY C Volume: 115, 24102-24114 (2011).

Keal TW.; Sherwood P; Dutta, G; Sokol, AA; Catlow CRA; Characterization of hydrogen dissociation over aluminium-doped zinc oxide using an efficient massively parallel framework for QM/MM calculations, Proceedings of the Royal Society A-Mathematical Physical and Engineering Sciences 467: 1900-1924 (2011).

Scanlon, D O ; King, P D C; Singh, R P ; de la Torre, A ; Walker, S M; Balakrishnan, G; Baumberger, F ; Catlow, C R A; Controlling Bulk Conductivity in Topological Insulators: Key Role of Anti-Site Defects, ADVANCED MATERIALS 24 , 2154-2158 (2012).
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