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Dr Dewi Lewis - Publications

    2013

    • Ruiz-Salvador, A. R., Grau-Crespo, R., Gray, A. E., Lewis, D. W. (2013). Aluminium distribution in ZSM-5 revisited: The role of Al-Al interactions. Journal of Solid State Chemistry 198, 330 - 336-330 - 336, 0 doi:10.1016/j.jssc.2012.10.022. Publisher URL

    2012

    • Butler, K. T., Lewis, D. W. (2012). Calculation of the Si-29 NMR Chemical Shifts of Aqueous Silicate Species. JOURNAL OF PHYSICAL CHEMISTRY A 116(34), 8786-8791 doi:10.1021/jp306119n. Author URL
    • García-Sánchez, M. F., Fernández, N., Martínez-Sarrión, M. -. L., Mestres, L., Santana, G., Lewis, D. W., Ruiz-Salvador, A. R. (2012). Chemical insertion in the perovskite solid solutions Pr Li Bi □ TiO : Implications on the electrical properties. Materials Science and Engineering B: Solid-State Materials for Advanced Technology 177(8), 563-569 doi:10.1016/j.mseb.2012.02.025.
    • Sarmiento-Perez, R. A., Marleny Rodriguez-Albelo, L., Gomez, A., Autie-Perez, M., Lewis, D. W., Rabdel Ruiz-Salvador, A. (2012). Surprising role of the BDC organic ligand in the adsorption of CO2 by MOF-5. MICROPOROUS AND MESOPOROUS MATERIALS 163, 186-191 doi:10.1016/j.micromeso.2012.07.011. Author URL

    2011

    • Beale, A. M., O'Brien, M. G., Kasunic, M., Golobic, A., Sanchez-Sanchez, M., Lobo, A. J. W., Lewis, D. W., Wragg, D. S., Nikitenko, S., Bras, W., Weckhuysen, B. M. (2011). Probing ZnAPO-34 Self-Assembly Using Simultaneous Multiple in Situ Techniques. J PHYS CHEM C 115(14), 6331-6340 doi:10.1021/jp200043b.
    • Binions, R., Afonja, A., Dungey, S., Lewis, D. W., Parkin, I. P., Williams, D. E. (2011). Discrimination Effects in Zeolite Modified Metal Oxide Semiconductor Gas Sensors. IEEE SENS J 11(5), 1145-1151 doi:10.1109/JSEN.2010.2084079.
    • French, S. A., Coates, R., Lewis, D. W., Catlow, C. R. A. (2011). Probing the structure of complex solids using a distributed computing approach-Applications in zeolite science. J SOLID STATE CHEM 184(6), 1484-1491 doi:10.1016/j.jssc.2011.04.010.

    2010

    • Afonja, A., Binions, R., Dungey, S., Parkin, I. P., Lewis, D. W., Williams, D. E. (2010). Zeolites as transformation elements in discriminating semiconductor metal oxide sensors. EUROSENSORS XXIV CONFERENCE. ( Vol. 5 pp.103-106). ELSEVIER SCIENCE BV.
    • Albelo, L. M. R., Ruiz-Salvador, A. R., Lewis, D. W., Gomez, A., Mialane, P., Marrot, J., Dolbecq, A., Sampieri, A., Mellot-Draznieks, C. (2010). Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach. PHYS CHEM CHEM PHYS 12(30), 8632-8639 doi:10.1039/c004234j.
    • Brent, R., Anderson, M. W., Lobo, A. J. W., Lewis, D. W. (2010). Modifying the crystal habit of zeolite L by addition of an organic space filler. Journal of Physical Chemistry C 114(42), 18240-18246 doi:10.1021/jp1067445.
    • Garcia-Basabe, Y., Rodriguez-Iznaga, I., de Menorval, L. C., Llewellyn, P., Maurin, G., Lewis, D. W., Binions, R., Autie, M., Ruiz-Salvador, A. R. (2010). Step-wise dealumination of natural clinoptilolite: Structural and physicochemical characterization. MICROPOR MESOPOR MAT 135(1-3), 187-196 doi:10.1016/j.micromeso.2010.07.008.
    • Gren, W., Parker, S. C., Slater, B., Lewis, D. W. (2010). Structure of Zeolite A (LTA) Surfaces and the Zeolite A/Water Interface. J PHYS CHEM C 114(21), 9739-9747 doi:10.1021/jp909355e.

    2009

    • Afonja, A., Dungey, S., Binions, R., Parkin, I. P., Lewis, D. W., Williams, D. E. (2009). Gas sensing properties of composite tungsten trioxide-zeolite thick films. ECS Transactions 16(24), 77-84 doi:10.1149/1.3109634.
    • Binions, R., Afonja, A., Dungey, S., Lewis, D. W., Parkin, I. P., Williams, D. E. (2009). Discrimination Effects in Zeolite Modified Metal Oxide Semiconductor Gas Sensors. 2009 IEEE SENSORS, VOLS 1-3. ( pp.1044-1049). IEEE.
    • Binions, R., Afonja, A., Dungey, S., Lewis, D. W., Parkin, I. P., Williams, D. E. (2009). Discrimination effects in zeolite modified metal oxide semiconductor gas sensors. Proceedings of IEEE Sensors , 1090-1095 doi:10.1109/ICSENS.2009.5398566.
    • Binions, R., Afonja, A., Dungey, S., Lewis, D., Parkin, I. P., Williams, D. E. (2009). Zeolite modification: Towards discriminating metal oxide gas sensors. ECS Transactions 19(6), 241-250 doi:10.1149/1.3118557.
    • Binions, R., Davies, H., Afonja, A., Dungey, S., Lewis, D., Williams, D. E., Parkin, I. P. (2009). Zeolite-Modified Discriminating Gas Sensors. J ELECTROCHEM SOC 156(3), J46-J51 doi:10.1149/1.3065436.
    • Cabrera, R. Q., Salamat, A., Barkalov, O. I., Leynaud, O., Hutchins, P., Daisenberger, D., Machon, D., Sella, A., Lewis, D. W., McMillan, P. F. (2009). Pressure-induced structural transformations of the Zintl phase sodium silicide. J SOLID STATE CHEM 182(9), 2535-2542 doi:10.1016/j.jssc.2009.06.037.
    • Cubillas, P., Castro, M., Jelfs, K. E., Lobo, A. J. W., Slater, B., Lewis, D. W., Wright, P. A., Stevens, S. M., Anderson, M. W. (2009). Spiral Growth on Nanoporous Silicoaluminophosphate STA-7 as Observed by Atomic Force Microscopy. CRYST GROWTH DES 9(9), 4041-4050 doi:10.1021/cg900255u.
    • Lewis, D. W., Ruiz-Salvador, A. R., Gomez, A., Rodriguez-Albelo, L. M., Coudert, F. X., Slater, B., Cheetham, A. K., Mellot-Draznieks, C. (2009). Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues. CRYSTENGCOMM 11(11), 2272-2276 doi:10.1039/b912997a.
    • O'Brien, M. G., Beale, A. M., Kuipers, B. W. M., Erne, B. H., Lewis, D. W., Catlow, C. R. A. (2009). 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. J PHYS CHEM C 113(43), 18614-18622 doi:10.1021/jp907542a.
    • Rodriguez-Albelo, L. M., Ruiz-Salvador, A. R., Sampieri, A., Lewis, D. W., Gomez, A., Nohra, B., Mialane, P., Marrot, J., Secheresse, F., Mellot-Draznieks, C., Biboum, R. N., Keita, B., Nadjo, L., Dolbecq, A. (2009). Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1. J AM CHEM SOC 131(44), 16078-16087 doi:10.1021/ja905009e.

    2008

    • Binions, R., Davies, H., Afonja, A., Dungey, S., Lewis, D., Parkin, I. P., Williams, D. E. (2008). Zeolite modified discriminating gas sensors. ECS Transactions 16(11), 275-286 doi:10.1149/1.2981129.
    • Butler, K., Slater, B., Lewis, D. W. (2008). Si-29 NMR chemical shifts from Density Functional Theory incorporating solvent effects. ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE. ( Vol. 174 pp.725-728). ELSEVIER SCIENCE BV.
    • Dungey, S., Afonja, A., Lewis, D. W., Binions, R., Parkin, I. P., Paraskeva, T., Williams, D. E. (2008). Zeolite-based discriminating gas sensors. ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE. ( Vol. 174 pp.549-554). ELSEVIER SCIENCE BV.
    • Mora-Fonz, M. J., Catlow, C. R. A., Lewis, D. W. (2008). H-Bond interactions between silicates and water during zeolite pre-nucleation. PHYS CHEM CHEM PHYS 10(43), 6571-6578 doi:10.1039/b719632f.

    2007

    • E Jelfs, K., Slater, B., W Lewis, D., J Willock, D. (2007). The role of organic templates in controlling zeolite crystal morphology. Studies in Surface Science and Catalysis 170(B), 1685-1692 doi:10.1016/S0167-2991(07)81047-0.
    • Halil, D., Slater, B., Lewis, D. W. (2007). Influence of cations on crystal growth mechanism: ABW vs. JBW. Studies in Surface Science and Catalysis 170(A), 674-681 doi:10.1016/S0167-2991(07)80907-4.
    • Mora-Fonz, M. J., Catlow, C. R. A., Lewis, D. W. (2007). Modeling aqueous silica chemistry in alkali media. J PHYS CHEM C 111(49), 18155-18158 doi:10.1021/jp077153u.
    • O'Brien, M. G., Sanchez-Sanchez, M., Beale, A. M., Lewis, D. W., Sankar, G., Catlow, C. R. A. (2007). Effect of organic templates on the kinetics and crystallization of microporous metal-substituted aluminophosphates. The Journal of Physical Chemistry C 111(45), 16951-16961 doi:10.1021/jp0750351.
    • O'Brien, M. G., Sanchez-Sanchez, M., Beale, A. M., Lewis, D. W., Sankar, G., Catlow, C. R. A. (2007). Effect of organic templates on the kinetics and crystallization of microporous metal-substituted aluminophosphates. J PHYS CHEM C 111(45), 16951-16961 doi:10.1021/jp050351.
    • Ruiz-Salvador, A. R., Almora-Barrios, N., Gomez, A., Lewis, D. W. (2007). Interplay of water, extra-framework cations and framework atoms in the structure of low-silica zeolites: the case of the natural zeolite Goosecreekite as studied by computer simulation. PHYS CHEM CHEM PHYS 9(4), 521-532 doi:10.1039/b607030b.
    • Sastre, G., Lewis, D. W. (2007). Physical Chemistry Chemical Physics: Editorial. Physical Chemistry Chemical Physics 9(9), 1034-1034 doi:10.1039/b701265a.

    2005

    • Mora-Fonz, M. J. C., C R A, L., D, W. (2005). The role of solvation and pH in the nucleation of pure silica zeolites. Studies in Surface Science and Catalysis 158, 295-302
    • Mora-Fonz, M. J., Catlow, C. R. A., Lewis, D. W. (2005). Oligomerization and cyclization processes in the nucleation of microporous silicas. Angewandte Chemie International Edition 44(20), 3082-3086 doi:10.1002/anie.200462524.
    • Mora-Fonz, M. J., Catlow, C. R. A., Lewis, D. W. (2005). Oligomerization and cyclization processes in the nucleation of microporous silicas. ANGEW CHEM INT EDIT 44(20), 3082-3086 doi:10.1002/anie.200462524.
    • Mora-Fonz, M. J., Catlow, C. R. A., Lewis, D. W. (2005). The role of solvation and pH in the nucleation of pure silica zeolites. MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B. ( Vol. 158 pp.295-302). ELSEVIER SCIENCE BV.
    • Ruiz-Salvador, A. R., Garcia-Sanchez, M. F., O'Reilly-Lukin, M., Lewis, D. W., Gomez, A. (2005). Approaching the structure of heavily defective ionic oxides through atomistic modeling. Physica Status Solidi (C) 2(10), 3521-3524
    • Salih, D., Slater, B., Lewis, D. W., Green, M. A. V. B., W, (2005). An investigation into the crystal structures of Na-J(BW) and Li-A(BW). Studies in Surface Science and Catalysis 158, 105-112
    • Thomas, J. M., Raja, R., Lewis, D. W. (2005). Single-site heterogeneous catalysts. Angewandte Chemie International Edition 44(40), 6456-6482

    2004

    • Gibbs, T., White, C. L. I. M., Ruiz-Salvador, A. R., Lewis, D. W. (2004). Effect of hydration levels and pressure on zeolite structure. PROCEEDINGS OF THE 14TH INTERNATIONAL ZEOLITES CONFERENCE CAPE TOWN, EDS VAN STEEN, E CALLANAN, L H CALEYS, M THE CATALYSIS SOCIETY OF SOUTH AFRICA 2004(637)
    • Ruiz-Salvador, A. R., Gomez, A., Diaz, B. N., Ortega, Y., Lewis, D. W. (2004). Si atoms in SAPO-31: A computational study. PROCEEDINGS OF THE 14TH INTERNATIONAL ZEOLITES CONFERENCE CAPE TOWN EDS VAN STEEN, E CALLANAN, L H CLAEYS, M: THE CATALYSIS SOCIETY OF SOUTH AFRICA 2004(551)
    • Simperler, A., Bell, R. G., Foster, M. D., Gray, A. E., Lewis, D. W., Anderson, M. W. (2004). Probing the acid strength of Bronsted acidic zeolites with acetonitrile: An atomistic and quantum chemical study. The Journal of Physical Chemistry B 108, 7152-7161 doi:10.1021/jp035673t.
    • White, C. L. I. M., Ruiz-Salvador, A. R., Lewis, D. W. (2004). Pressure-induced hydration effects in the zeolite laumontite. Angewandte Chemie International Edition 43, 469-472 doi:10.1002/anie.200352364.

    2003

    • Creighan, S. C., Mukerji, R. J., Bolina, A. S., Lewis, D. W., Brown, W. A. (2003). The adsorption of CO on the stepped Pt{211} surface: a comparison of theory and experiment. Catalysis Letters 88, 39-45
    • Jones, M. D., Raja, R., Johnson, B. F. G., Rouzaud, J., Thomas, J. M., Lewis, D. W., Harris, K. D. M. (2003). Enhancing the enantioselectivity of novel homogeneous organometallic hydrogenation catalysts. Angewandte Chemie - International Edition 42(36), 4326-4331 doi:10.1002/anie.200250861.
    • Jones, M. D., Raja, R., Thomas, J. M., Johnson, B. F. G., Lewis, D. W., Rouzaud, J., Harris, K. D. M. (2003). Enhancing the Enantioselectivity of Novel Homogeneous Organometallic Hydrogenation Catalysts. Angewandte Chemie 115(36), 4462-4467 doi:10.1002/ange.200250861.
    • Jones, M. D., Raja, R., Thomas, J. M., Johnson, B. F. G., Lewis, D. W., Rouzaud, J., Harris, K. D. M. (2003). Enhancing the enantioselectivity of novel homogeneous organometallic hydrogenation catalysts. ANGEW CHEM INT EDIT 42(36), 4326-4331 doi:10.1002/anie.200250861.

    2002

    • Gibbs, T., Lewis, D. W. (2002). Simultaneous occupation of SI and SI ' cation sites in dehydrated zeolite LSX. Chemical Communications (22), 2660-2661
    • Lewis, D. W., Ruiz-Salvador, A. R., Almora-Barrios, N., G mez, A., Mistry, M. (2002). Modelling of hydrated Ca-rich zeolites. Molecular Simulation 28(6-7), 649-661
    • Zenonos, C., Sankar, G., Cora, F., Lewis, D. W., Pankhurst, Q. A., Catlow, C. R. A., Thomas, J. M. (2002). On the nature of iron species in iron substituted aluminophosphates. Physical Chemistry Chemical Physics 4(21), 5421-5429

    2001

    • Almorra-Barrios, N., Gomez, A., Ruiz-Salvador, A. R., Mistry, M., Lewis, D. W. (2001). Understanding Si/Al distributions in Al-rich zeolites: the role of water in determining the structure of Goosecreekite. Chemical Communications (6), 531-532 doi:10.1039/b009623g.
    • Cora, F., Catlow, C. R. A., Lewis, D. W. (2001). Design of microporous transition metal oxide catalysts and investigation of their synthesis conditions. Journal of Molecular Catalysis A: Chemical 166(1), 123-134
    • Cora, F., Catlow, C. R. A., Lewis, D. W. (2001). Design of microporous transition metal oxide catalysts and investigation of their synthesis conditions. Journal of Molecular Catalysis A: Chemical 166, 464-468
    • Gray, A., O'Brien, A., Lewis, D. W. (2001). Computational studies of the structure of Na- and H-Mordenite. Studies in Surface Science and Catalysis 135(16), 11-
    • Lewis, D. W. (2001). Computer Modelling of Zeolites. In Buschow, K. H. J., Cahn, R. W., Flemings, M. C., Ilschner, B., Kramer, E. J., Mahajan, S. (Eds.). Encyclopedia of Materials: Science and Technology ( pp.9863-9869). Amsterdam Elsevier.
    • Lewis, D. W. (2001). Template Molcules for Solid State Synthesis. In Buschow, K. H. J., Cahn, R. W., Flemings, M. C., Ilschner, B., Kramer, E. J., Mahajan, S. (Eds.). Encyclopedia of Materials: Science and Technology ( pp.9097-9100). Amsterdam Elsevier.
    • Thomas, J. M., Raja, R., Sankar, G., Bell, R. G., Lewis, D. W. (2001). Benign by design. New catalysts for an environmentally conscious age. Pure and Applied Chemistry 73(7), 1087-1101
    • Thomas, J. M., Raja, R., Sankar, G., Bell, R. G., Lewis, D. W. (2001). New Catalysis for an Environmentally Conscious Age. PURE AND APPLIED CHEMISTRY 73(7), 1087-1101
    • Thomas, J. M., Raja, R., Sankar, G., Johnson, B. F. G., Lewis, D. W. (2001). Solvent-free routes to clean technology. Chemistry - A European Journal 7(14), 2973-2978
    • Zenonos, C., Beale, A., Sankar, G., Lewis, D. W., Thomas, J. M., Catlow, C. R. A. (2001). Structure of Fe(III) sites in Iron substituted aluminophosphates: a computational and X-ray spectroscopic investigation. Studies in Surface Science and Catalysis 135(14), 39-

    2000

    • Ruiz-Salvador, A. R., Gomez, A., Lewis, D. W., Catlow, C. R. A., Rodriguez-Albelo, L. M., Montero, L., Rodriguez-Fuentes, G. (2000). Clinoptilolite-heulandite polymorphism: structural features from computer simulation. Physical Chemistry Chemical Physics 2(8), 1803-1813
    • Sastre, G., Lewis, D. W., Corma, A. (2000). The role of the electrostatic potential, electric field and electric field gradient on the acidity of AFI and CHA zeotypes. Physical Chemistry Chemical Physics 2(1), 177-185
    • Willock, D. J., Norton, M., Lewis, D. (2000). Design and evaluation of chiral microporous materials using computer modeling techniques. Abstracts of Papers of the American Chemical Society 219, 71-CATL

    1999

    • Chisholm, J. A., Lewis, D. W., Bristow, P. D. (1999). Classical simulations of the properties of group-III nitrides. Journal of Physics: Condensed Matter 11, L235-L239
    • Lewis, D. W., Sastre, G. (1999). Rationalisation of the IR stretching frequencies of Bronsted acid centres in microporous solids. Chemical Communications , 349-350
    • Ruiz-Salvador, A. R., G mez, A., Lewis, D. W., Rodr guez-Fuentes, G., Montero, L. (1999). Silicon-aluminium distribution in dehydrated calcium heulandite. Physical Chemistry Chemical Physics 1, 1679-1685
    • Sastre, G., Lewis, D. W. (1999). Study of short and long range effects on Brrnsted acidity in AFI and CHA zeotypes. Proceedings of the International Zeolite Conference. ( pp.341-347). Pennsylvania Materials Research Society.

    1998

    • Catlow, C. R. A., Bell, R. G., Gale, J. D., Lewis, D. W., Sayle, D. C., Sinclair, P. E. (1998). An introduction to molecular heterogeneous catalysis. In Derouane, E., Haber, J., Lemos, F., Ribeiro, F. R., Guisnet, M. (Eds.). Catalytic activation and functionalisation of light alkanes. Advances and challenges ( pp.189-214). Dordrecht Kluwer.
    • Catlow, C. R. A., Coombes, D. S., Lewis, D. W., Pereira, J. C. G. (1998). Computer modeling of nucleation, growth, and templating in hydrothermal synthesis. Chemistry of Materials 10, 3249-3265
    • Cor,, F,, Lewis,, D, W., Catlow,, C, R. A. (1998). De novo design of microporous transition metal oxides. Chemical Communications , 1943-1944
    • Ruiz-Salvador, A. R., Lewis, D. W., Rubayo-Soneira, J., Rodr guez-Fuentes, G., Sierra, L. R., Catlow, C. R. A. (1998). Aluminum distribution in low Si/Al zeolites: Dehydrated Na-clinoptilolite. The Journal of Physical Chemistry B 102, 8417-8425
    • Ruiz-Salvador, A. R., Lewis, D. W., Rubayo-Soneira, J., Rodriguez-Fuentes, G., Sierra, L. R., Catlow, C. R. A. (1998). Aluminum distribution in low Si/Al zeolites: Dehydrated Na-clinoptilolite. J PHYS CHEM B 102(43), 8417-8425
    • Sankar, G., Wyles, J. K., Jones, R. H., Thomas, J. M., Catlow, C. R. A., Lewis, D. W., Clegg, W., Coles, S. J., Teat, S. J. (1998). Structure of templated microcrystalline DAF-5 (Co0.28Al0.72PO4C10H20N2) determined by synchrotron-based diffraction methods. Chemical Communications , 117-118
    • Sastre, G., Lewis, D. W. (1998). Modelling of Bronsted acidity in AFI and CHA zeotypes. Journal of the Chemical Society, Faraday Transactions 94, 3049-3058

    1997

    • Catlow, C. R. A., Ackermann, L., Bell, R. G., Gay, D. H., Holt, S., Lewis, D. W., Nygren, M. A., Sastre, G., Sayle, D. C., Sinclair, P. E. (1997). Modelling of structure, sorption, synthesis and reactivity in catalytic systems. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. ( Vol. 115 pp.431-448). ELSEVIER SCIENCE BV.
    • Catlow, C. R. A., Ackermann, L., Bell, R. G., Gay, D. H., Holt, S., Lewis, D. W., Nygren, M. A., Sastre, G., Sayle, D. C., Sinclair, P. E. (1997). Modelling of structure, sorption, synthesis and reactivity in catalytic systems. Journal of Molecular Catalysis A: Chemical 115, 431- doi:10.1016/S1381-1169(96)00349-4.
    • Lewis, D. W., Bell, R. G., Wright, P. A., Catlow, C. R. A., Thomas, J. M. (1997). Computer modelling of the structure and synthesis of microporous and mesoporous materials. PROGRESS IN ZEOLITE AND MICROPOROUS MATERIALS, PTS A-C. ( Vol. 105 pp.2291-2298). ELSEVIER SCIENCE PUBL B V.
    • Lewis, D. W., Catlow, C. R. A., Thomas, J. M. (1997). Application of computer modelling to the mechanisms of synthesis of microporous catalytic materials. FARADAY DISCUSSIONS. ( Vol. 106 pp.451-471). ROYAL SOC CHEMISTRY.
    • Lewis, D. W., Sankar, G., Wyles, J. K., Thomas, J. M., Catlow, C. R. A., Willock, D. J. (1997). Synthesis of a small-pore microporous material using a computationally designed template. ANGEW CHEM INT EDIT 36(23), 2675-2677
    • RuizSalvador, A. R., Sastre, G., Lewis, D. W., Catlow, C. R. A. (1997). Space group symmetry and Al-O-P bond angles in AlPO4-5 (vol 6, pg 1837, 1996). J MATER CHEM 7(9), 1953-1953
    • Sastre, G., Lewis, D. W., Catlow, C. R. A. (1997). Mechanisms of silicon incorporation in aluminophosphate molecular sieves. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. ( Vol. 119 pp.349-356). ELSEVIER SCIENCE BV.
    • Sastre, G., Lewis, D. W., Catlow, C. R. A. (1997). Modeling of silicon substitution in SAPO-5 and SAPO-34 molecular sieves. J PHYS CHEM B 101(27), 5249-5262
    • Willock, D. J., Lewis, D. W., Catlow, C. R. A., Hutchings, G. J., Thomas, J. M. (1997). Designing templates for the synthesis of microporous solids using de novo molecular design methods. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. ( Vol. 119 pp.415-424). ELSEVIER SCIENCE BV.

    1996

    • Lewis, D. W., Bell, R. G., Wright, P. A., Catlow, C. R. A., Thomas, J. M. (1996). Computer modelling of the structure and synthesis of microporous and mesoporous materials. Studies in Surface Science and Catalysis 105, 2291- doi:10.1016/S0167-2991(97)80702-1.
    • Lewis, D. W., Catlow, C. R. A., Thomas, J. M. (1996). Influence of organic templates on the structure and on the concentration of framework metal ions in microporous aluminophosphate catalysts. CHEM MATER 8(5), 1112-1118
    • Lewis, D. W., Willock, D. J. (1996). A general approach to de novo design applied to template prediction for microporous materials. ABSTR PAP AM CHEM S 212, 123-COMP
    • Lewis, D. W., Willock, D. J., Catlow, C. R. A., Thomas, J. M., Hutchings, G. J. (1996). De novo design of structure-directing agents for the synthesis of microporous solids. NATURE 382(6592), 604-606
    • RuizSalvador, A. R., Sastre, G., Lewis, D. W., Catlow, C. R. A. (1996). Space group symmetry and Al-O-P bond angles in AlPO4-5. J MATER CHEM 6(11), 1837-1842
    • Sastre, G., Lewis, D. W., Catlow, C. R. A. (1996). Structure and stability of silica species in SAPO molecular sieves. J PHYS CHEM-US 100(16), 6722-6730
    • Thomas, J. M., Lewis, D. W. (1996). Towards rational design of solid acid catalysts. Z PHYS CHEM 197, 37-48

    1995

    • Bell, R. G., Lewis, D. W., Catlow, C. R. A. (1995). Computer modelling of iron-containing zeolites. Studies in Surface Science and Catalysis 98(C), 234-235 doi:10.1016/S0167-2991(06)81169-9.
    • Catlow, C. R. A., Bell, R. G., Gale, J. D., Lewis, D. W. (1995). Modelling of structure and reactivity in zeolites. ZEOLITES: A REFINED TOOL FOR DESIGNING CATALYTIC SITES. ( Vol. 97 pp.87-100). ELSEVIER SCIENCE PUBL B V.
    • FREEMAN, C. M., LEWIS, D. W., HARRIS, T. V., CHEETHAM, A. K., HENSON, N. J., COX, P. A., GORMAN, A. M., LEVINE, S. M., NEWSAM, J. M., HERNANDEZ, E., CATLOW, C. R. A. (1995). SIMULATING THE BEHAVIOR OF ORGANIC-MOLECULES IN ZEOLITES. COMPUTER-AIDED MOLECULAR DESIGN. ( Vol. 589 pp.326-340). AMER CHEMICAL SOC.
    • LEWIS, D. W., CATLOW, C. R. A., SANKAR, G., CARR, S. W. (1995). STRUCTURE OF IRON-SUBSTITUTED ZSM-5. J PHYS CHEM-US 99(8), 2377-2383
    • LEWIS, D. W., FREEMAN, C. M., CATLOW, C. R. A. (1995). PREDICTING THE TEMPLATING ABILITY OF ORGANIC ADDITIVES FOR THE SYNTHESIS OF MICROPOROUS MATERIALS. J PHYS CHEM-US 99(28), 11194-11202
    • Lewis, D. W., Grimes, R. W., Catlow, C. R. A. (1995). Defect processes at low coordinate surface sites of MgO and their role in the partial oxidation of hydrocarbons. J MOL CATAL A-CHEM 100(1-3), 103-114
    • LEWIS, D. W., SANKAR, G., RICHARD, C., CATLOW, C. R. A., CARR, S. W., THOMAS, J. M. (1995). COMPUTER-SIMULATION OF FE-ZSM5 - COMPARISON TO EXAFS STUDIES. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS. ( Vol. 97 pp.44-49). ELSEVIER SCIENCE BV.
    • REY, F., SANKAR, G., THOMAS, J. M., BARRETT, P. A., LEWIS, D. W., CATLOW, C. R. A., CLARK, S. M., GREAVES, G. N. (1995). SYNCHROTRON-BASED METHOD FOR THE STUDY OF CRYSTALLIZATION - TEMPLATED FORMATION OF COALPO-5 CATALYST. CHEM MATER 7(8), 1435-1436
    • WRIGHT, P. A., SAYAG, C., REY, F., LEWIS, D. W., GALE, J. D., NATARAJAN, S., THOMAS, J. M. (1995). SYNTHESIS, CHARACTERIZATION AND CATALYTIC PERFORMANCE OF THE SOLID ACID DAF-1. J CHEM SOC FARADAY T 91(19), 3537-3547

    1994

    • Bell, R. G., Lewis, D. W., Voigt, P., Freeman, C. M., Thomas, J. M., Catlow, C. R. A. (1994). COMPUTER MODELING OF SORBATES AND TEMPLATES IN MICROPOROUS MATERIALS. Studies in Surface Science and Catalysis 84, 2075-
    • Lewis, D. W., Catlow, C. R. A. (1994). A computational study of the role of chlorine in the partial oxidation of methane by MgO and Li/MgO. Topics in Catalysis 1(1-2), 111-121 doi:10.1007/BF01379581.
    • LEWIS, D. W., CATLOW, C. R. A., FREEMAN, C. M. (1994). ENERGETIC TRENDS IN TEMPLATE-HOST INTERACTIONS - COMPUTER-SIMULATIONS OF TEMPLATE BINDING WITHIN ZEOLITIC STRUCTURES. ABSTR PAP AM CHEM S 207, 56-COMP