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Number of items: 19.
2006
| Dove, M.T. and White, T.O.H. and Walker, A.M. and Bruin, R.P. and Austen, K.F. and Artacho, E. and Sullivan, L.A. and Calleja, M. and Tucker, M.G. and Tyer, R.P. and Couch, P.A. and Van Dam, K.K. and Allan, R.J. and Todorov, I.T. and Chapman, C. and Emmerich, W. and Marmier, A. and Parker, S.C. and Blanchard, M.O. and Catlow, C.R.A. and Du, Z. and De Leeuw, N. and Lewis, G.J. and Alexandrov, V. and Alfredsson, Maria and Brodholt, J.P. and Murray-Rust, P. (2006) Computational grids for mid-sized collaborative projects: The eMinerals experience. In: ARRAY(0x7ffa4013ea88), Amsterdam. (doi:https://doi.org/10.1109/E-SCIENCE.2006.261179) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, T.X.T. and Catlow, C.R.A. and Maphanga, R.Rapella. and Ngoepe, P.E. and Sayle, D.C. (2006) Evolving microstructure in MnO 2 using amorphisation and recrystallisation. Journal of Crystal Growth, 294 (1). pp. 118-129. ISSN 00220248 (ISSN). (doi:https://doi.org/10.1016/j.jcrysgro.2006.05.033) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
2005
| Sayle, T.X.T. and Catlow, C.R.A. and Maphanga, R.R. and Ngoepe, P.E. and Sayle, D.C. (2005) Generating MnO2 nanoparticles using simulated amorphization and recrystallization. Journal of the American Chemical Society, 127 (37). pp. 12828-12837. ISSN 00027863 (ISSN). (doi:https://doi.org/10.1021/ja0434073) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
2002
| Sayle, D.C. and Catlow, C.R.A. and Dulamita, N. and Healy, M.J.F. and Maicaneanu, S.A. and Slater, B. and Watson, G.W. (2002) Modelling oxide thin films. Molecular Simulation, 28 (6-7). pp. 683-725. ISSN 08927022 (ISSN). (doi:https://doi.org/10.1080/08927020290030224) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
2000
| Sayle, D.C. and Catlow, C.R.A. and Harding, J.H. and Healy, M.J.F. and Maicaneanu, S.A. and Parker, S.C. and Slater, B. and Watson, G.W. (2000) Atomistic simulation methodologies for modelling the nucleation, growth and structure of interfaces. Journal of Materials Chemistry, 10 (6). pp. 1315-1324. ISSN 09599428 (ISSN). (doi:https://doi.org/10.1039/b001094o) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
1999
| Sayle, D.C. and Maicaneanu, S.A. and Slater, B. and Catlow, C.R.A. (1999) Exercising control over the influence of the lattice misfit on the structure of oxide-oxide thin film interfaces. Journal of Materials Chemistry, 9 (11). pp. 2779-2787. ISSN 0959-9428. (doi:https://doi.org/10.1039/a905333f) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
1997
| Sayle, D.C. and Catlow, C.R.A. and Gale, J.D. and Perrin, M.A. and Nortier, P. (1997) Active site configurations within the NO decomposition catalyst, Cu-ZSM-5; the role of framework aluminium. Journal of Materials Chemistry, 7 (8). pp. 1635-1639. ISSN 0959-9428. (doi:https://doi.org/10.1039/A701716B) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and Catlow, C.R.A. and Gale, J.D. and Perrin, M.A. and Nortier, P. (1997) Computer modeling of the active-site configurations within the NO decomposition catalyst Cu-ZSM-5. Journal of Physical Chemistry A, 101 (18). pp. 3331-3337. ISSN 10895639 (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and Catlow, C.R.A. and Perrin, M.A. and Nortier, P. (1997) Copper clusters in mordenite. A direct structural comparison with the NO decomposition catalyst Cu-ZSM-5. Journal of Materials Chemistry, 7 (9). pp. 1917-1923. ISSN 0959-9428. (doi:https://doi.org/10.1039/A702840G) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Catlow, C.R.A. and Ackermann, L. and Bell, R.G. and Gay, D.H. and Holt, S. and Lewis, D.W. and Nygren, M.A. and Sastre, G. and Sayle, D.C. and Sinclair, P.E. (1997) Modelling of structure, sorption, synthesis and reactivity in catalytic systems. Journal of Molecular Catalysis A: Chemical, 115 (3). pp. 431-448. ISSN 1381-1169. (doi:https://doi.org/10.1016/S1381-1169(96)00349-4) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and Catlow, C.R.A. and Perrin, M.-A. (1997) NaCl clusters on MgO(001): A model system to explore interfacial crystal growth, nucleation, and grain-boundary formation. Physical Review B: Condensed Matter and Materials Physics, 56 (24). pp. 15952-15961. ISSN 0163-1829. (doi:https://doi.org/10.1103/PhysRevB.56.15952) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
1996
| Sayle, D.C. and Catlow, C.R.A. (1996) Computer modeling of the V2O5/TiO2 Interface. Journal of Physical Chemistry, 100 (21). pp. 8940-8945. ISSN 00223654 (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Catlow, C.R.A. and Gay, D.H. and Rohl, A.L. and Sayle, D.C. (1996) Simulating the structures of crystals and their surfaces. Topics in Catalysis, 3 (1-2). pp. 135-167. ISSN 10225528 (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and Catlow, C.R.A. and Perrin, M.A. and Nortier, P. (1996) Sorption of ethene and ethane on the V2O5(001)/TiO2(001) anatase interface. Catalysis Letters, 38 (3-4). pp. 203-208. ISSN 1011372X (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and George, A.R. and Catlow, C.R.A. and Perrin, M.A. and Nortier, P. (1996) Support effect in V2O5/TiO2 partial oxidation catalysts. Revue de l'Institute Francais du Petrole, 51 (1). pp. 43-47. ISSN 00202274 (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
1995
| Sayle, D.C. and Catlow, C.R.A. and Perrin, M.A. and Nortier, P. (1995) Computer simulation study of the defect chemistry of rutile TiO2. Journal of Physics and Chemistry of Solids, 56 (6). pp. 799-805. ISSN 00223697 (ISSN). (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Sayle, D.C. and Perrin, M.A. and Nortier, P. and Catlow, C.R.A. (1995) Simulation study of copper(I) and copper(II) species in ZSM-5 zeolite. Journal of the Chemical Society, Chemical Communications, (9). pp. 945-947. ISSN 00224936 (ISSN). (doi:https://doi.org/10.1039/C39950000945) (Full text available) |
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| Sayle, D.C. and Sayle, T.X.T. and Parker, S.C. and Harding, J.H. and Catlow, C.R.A. (1995) The stability of defects in the ceramic interfaces, MgO//MgO and CeO2//Al2O3. Surface Science, 334 (1-3). pp. 170-178. ISSN 00396028 (ISSN). (doi:https://doi.org/10.1016/0039-6028(95)00396-7) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
1994
| Sayle, D.C. and Sayle, T.X.T. and Parker, S.C. and Catlow, C.R.A. and Harding, J.H. (1994) Effect of defects on the stability of heteroepitaxial ceramic interfaces studied by computer simulation. Physical Review B, 50 (19). pp. 14498-14505. ISSN 01631829 (ISSN). (doi:https://doi.org/10.1103/PhysRevB.50.14498) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
