Dr Robert Bell - Publications

    2013

    • Fischer, M., Bell, R. G. (2013). A dispersion-corrected density-functional theory study of small molecules adsorbed in alkali-exchanged chabazites. Zeitschrift für Kristallographie - Crystalline Materials 228(3), 124-133 doi:10.1524/zkri.2012.1562. Author URL
    • Fischer, M., Bell, R. G. (2013). Identifying promising zeolite frameworks for separation applications: A building-block-based approach. Journal of Physical Chemistry C 117(33), 17099–17110 doi:10.1021/jp405507y. Publisher URL
    • Fischer, M., Bell, R. G. (2013). Modeling CO adsorption in zeolites using DFT-derived charges: Comparing system-specific and generic models. JOURNAL OF PHYSICAL CHEMISTRY C 117(46), 24446-24454 doi:10.1021/jp4086969. Author URL
    • Sugden, I. J., Plant, D. F., Bell, R. G. (2013). Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes. CHEMICAL COMMUNICATIONS 49(10), 975-977 doi:10.1039/c2cc37520f. Author URL
    • Torrisi, A., Bell, R. G., Mellot-Draznieks, C. (2013). Predicting the impact of functionalized ligands on CO adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study. MICROPOROUS AND MESOPOROUS MATERIALS 168, 225-238 doi:10.1016/j.micromeso.2012.10.002. Author URL

    2012

    • Fischer, M., Bell, R. G. (2012). Influence of zeolite topology on CO/N separation behavior: Force-field simulations using a DFT-derived charge model. The Journal of Physical Chemistry C 116(50), 26449-26463 doi:10.1021/jp3099768. Author URL

    2010

    • Simmance, K., Sankar, G., Bell, R. G., Prestipino, C., van Beek, W. (2010). Tracking the formation of cobalt substituted ALPO-5 using simultaneous in situ X-ray diffraction and X-ray absorption spectroscopy techniques. PHYS CHEM CHEM PHYS 12(3), 559-562 doi:10.1039/b920245e.
    • Torrisi, A., Bell, R. G., Mellot-Draznieks, C. (2010). Functionalized MOFs for Enhanced CO2 Capture. CRYST GROWTH DES 10(7), 2839-2841 doi:10.1021/cg100646e.
    • Torrisi, A., Mellot-Draznieks, C., Bell, R. G. (2010). Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. II. Effect of polar and acidic substituents. J CHEM PHYS 132(4), 044705 doi:10.1063/1.3276105.
    • Tribello, G. A., Slater, B., Zwijnenburg, M. A., Bell, R. G. (2010). Isomorphism between ice and silica. PHYS CHEM CHEM PHYS 12(30), 8597-8606 doi:10.1039/b916367k.

    2009

    • Coombes, D. S., Cora, F., Mellot-Draznieks, C., Bell, R. G. (2009). Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis. The Journal of Physical Chemistry C 113, 544-552 doi:10.1021/jp809408x.
    • Thomas, J. M., Hernandez-Garrido, J. C., Bell, R. G. (2009). A General Strategy for the Design of New Solid Catalysts for Environmentally Benign Conversions Solid Catalysts for Benign Conversions. Topics in Catalysis 52, 1630-1639 doi:10.1007/s11244-009-9302-5.
    • Thomas, J. M., Hernandez-Garrido, J. C., Raja, R., Bell, R. G. (2009). Nanoporous oxidic solids: the confluence of heterogeneous and homogeneous catalysis. Physical Chemistry Chemical Physics 11, 2799-2825 doi:10.1039/b819249a. Author URL
    • Torrisi, A., Mellot-Draznieks, C., Bell, R. G. (2009). Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring. Journal of Chemical Physics 130, 194703- doi:10.1063/1.3120909. Author URL

    2008

    • Almeida Paz, F. A., Majda, D., Bell R G, K., J, (2008). Discovering New Crystal Architectures. In Harris, K. D. M., Edwards, P. P. (Eds.). Turning Points in Solid-State, Materials and Surface Science ( ). London Royal Society of Chemistry.
    • Catlow, C. R. A., Bell, R. G., Slater, B., Woodley, S. M. (2008). Modelling of Structures of Heterogeneous Catalysts. In Ertl, G., Knözinger, H., Schüth, F., Weitkamp, J. (Eds.). Handbook of Heterogeneous Catalysis (2 ed. ). Weinheim Wiley-VCH.
    • Majda, D., Almeida Paz, F. A., Delgado Friedrichs, O., Simperler, A., Bell, R. G., Klinowski, J. (2008). Hypothetical zeolitic frameworks: In search of potential heterogeneous catalysts. The Journal of Physical Chemistry C 112, 1040- doi:10.1021/jp0760354.
    • Ramsahye, N. A., Bell, R. G. (2008). Calculating the energy barriers to sodium cation motion through the six-rings of zeolite Y. Microporous and Mesoporous Materials 109, 405- doi:10.1016/j.micromeso.2007.05.065.
    • Salles, F., Ghoufi, A., Maurin, G., Bell, R. G., Mellot-Draznieks, C., Férey, G. (2008). Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2 Adsorption. Angewandte Chemie International Edition 47, 8487-8491 doi:10.1002/anie.200803067. Author URL
    • Tang, L., Shi, L., Bonneau, C., Sun, J., Yue, H., Ojuva, A., Lee, B. -. L., Kritikos, M., Bell, R. G., Bacsik, Z., Mink, J., Zou, X. (2008). A zeolite family with chiral and achiral structures built from the same building layer. Nature Materials 7, 381- doi:10.1038/nmat2169. Author URL
    • Zwijnenburg, M. A., Bell, R. G., Corà, F. (2008). Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations. Journal of Solid State Chemistry 181, 2480-2487 doi:10.1016/j.jssc.2008.06.006.
    • Zwijnenburg, M. A., Bell,, R, G. (2008). Absence of limitations on the framework density and pore size of high-silica zeolites. Chemistry of Materials 20, 3008- doi:10.1021/cm702175q.
    • Zwijnenburg, M. A., Corà, F., Bell, R. G. (2008). Going beyond SiO2 and AlPO4: Stabilisation of "strained" hypothetical frameworks in exotic compositions. Studies in Surface Science and Catalysis. ( Vol. 174 pp.695-700). Elsevier.
    • Zwijnenburg, M. A., Corà, F., Bell, R. G. (2008). Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: Energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2. Journal of the American Chemical Society 130, 11082-11087 doi:10.1021/ja8026967. Author URL

    2007

    • Catlow, C. R. A., Bell, R. G., Cora, F., Slater, B. (2007). Molecular modeling in zeolite science. In Čejka, J., van Bekkum, H., Corma, A., Schüth, F. (Eds.). Introduction to Zeolite Science and Practice (Studies in Surface Science and Catalysis vol. 168) (3rd ed. ). Amsterdam Elsevier.
    • Coombes, D. S., Bell, R. G., Mellot-Draznieks, C., Ramsahye, N. A., Maurin, G. (2007). Derivation of new interatomic potential for flexible metal-organic frameworks: a pre-requisite for understanding swelling under adsorption conditions. Studies in Surface Science and Catalysis 170, 918- doi:10.1016/S0167-2991(07)80940-2.
    • Maurin, G., Llewellyn, P. L., Bell, R. G. (2007). CH4 adsorption in Faujasite systems: Microcalorimetry and Grand Canonical Monte Carlo simulations. Studies in Surface Science and Catalysis 160, 335- doi:10.1016/S0167-2991(07)80044-9.
    • Plant, D. F., Maurin, G., Bell, R. G. (2007). Diffusion of methanol in zeolite NaY: A molecular dynamics study. The Journal of Physical Chemistry B 111, 2836- doi:10.1021/jp0674524.
    • Zwijnenburg, M. A., Corà, F., Bell, R. G. (2007). Observation of the effect of chemical composition on framework-typepreference. Studies in Surface Science and Catalysis 170, 1705- doi:10.1016/S0167-2991(07)81050-0.
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2007). Dramatic differences between the energy landscapes of SiO2 and SiS2 zeotype materials. Journal of the American Chemical Society 129, 12588-12589 doi:10.1021/ja0727666.
    • Zwijnenburg, M. A., Cora, F., Bell, R. G. (2007). On the performance of DFT and interatomic potentials in predicting the energetics of (three-membered ring-containing) siliceous materials. The Journal of Physical Chemistry B 111, 6156- doi:10.1021/jp071060v.

    2006

    • Jordan, E., Bell, R. G., Wilmer, D., Koller, H. (2006). Anion-promoted cation motion and conduction in zeolites. Journal of the American Chemical Society 128, 568- doi:10.1021/ja0551887. Author URL
    • Maurin, G., Bourrelly, S., Llewellyn, P. L., Bell, R. G. (2006). Simulation of the adsorption properties of CH4 in faujasites up to high pressure: Comparison with microcalorimetry. Microporous and Mesoporous Materials 89, 96- doi:10.1016/j.micromeso.2005.09.024.
    • Maurin, G., Plant, D. F., Henn, F., Bell, R. G. (2006). Cation migration upon adsorption of methanol in NaY and NaX faujasite systems: A molecular dynamics approach. The Journal of Physical Chemistry B 110, 18447- doi:10.1021/jp062059j. Author URL
    • Plant, D. F., Maurin, G., Bell, R. G. (2006). Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: Comparison with the liquid phase. The Journal of Physical Chemistry B 110, 15926- doi:10.1021/jp0629543. Author URL
    • Plant, D. F., Simperler, A., Bell, R. G. (2006). Adsorption of methanol on zeolites X and Y. An atomistic and quantum chemical study. The Journal of Physical Chemistry B 110, 6170- doi:10.1021/jp0564142. Author URL
    • van den Berg, A. W. C., Zwijnenburg, M. A., Bromley, S. T., Flikkema, E., Bell, R. G., Jansen, J. C., Schoonman, L. (2006). Comparing the influence of framework type on H-2 absorption in hypothetical and existing clathrasils: a grand canonical Monte Carlo study. Journal of Materials Chemistry 16, 3285- doi:10.1039/b604377a.
    • Zwijnenburg, M. A., Huenerbein, R., Bell, R. G., Cora, F. (2006). A computational study into the (tetrahedral) distortion of TX2 alpha-quartz materials: The effect of changing the chemical composition away from SiO2. Journal of Solid State Chemistry 179, 3429-3436 doi:10.1016/j.jssc.2006.07.011.

    2005

    • Catlow, C. R. A., Bell, R. G., Cora, F. F., S A, S., B, S., A, A. (2005). Computer modelling of inorganic materials. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry 101, 513-547 doi:10.1039/b408372p.
    • Klinowski, J., Paz, F. A. A., Bell, R. G. (2005). All possible permutations. Chemistry and Industry (17), 24-
    • Koller, H., Jordan, E., Wilmer, D., Bell, R. G. (2005). Cationic motion and conduction in zeolites: Systematic study of anion effects on local motion and long range transport. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. ( Vol. 229 pp.U1105-U1106). AMER CHEMICAL SOC.
    • Maurin, G., Bell, R. G., Kuchta, B., Poyet, T., Llewellyn, P. (2005). Adsorption of Non Polar and Quadrupolar Gases in Siliceous Faujasite: Molecular Simulations and Experiments. Adsorption 11(suppl. 1), 331- doi:10.1007/s10450-005-5946-z.
    • Maurin, G., Bell, R. G., Llewellyn, P. L. (2005). CO2 adsorption in faujasite systems: microcalorimetry and molecular simulation. Studies in Surface Science and Catalysis 158, 955- doi:10.1016/S0167-2991(05)80435-5.
    • Maurin, G., Llewellyn, P., Bell, R. G. (2005). Adsorption mechanism of carbon dioxide in faujasites: Grand canonical Monte Carlo simulations and microcalorhnetry measurements. The Journal of Physical Chemistry B 109, 16084- doi:10.1021/jp052716s. Author URL
    • Plant, D. F., Maurin, G., Bell, R. G. (2005). Molecular dynamics simulation of methanol in zeolite NaY. Studies in Surface Science and Catalysis 158, 963- doi:10.1016/S0167-2991(05)80436-7.
    • Ramsahye, N. A., Bell, R. G. (2005). Cation mobility and the sorption of chloroform in zeolite NaY: Molecular dynamics study. The Journal of Physical Chemistry B 109, 4738-4747 doi:10.1021/jp046958o. Author URL
    • Simperler, A., Foster, M. D., Delgado Friedrichs, O., Bell, R. G., Paz, F. A. A., Klinowski, J. (2005). Hypothetical binodal zeolitic frameworks. Acta Crystallographica Section B 61, 263- doi:10.1107/S0108768105013340.
    • Zwijnenburg, M. A., Simperler, A., Wells, S. A., Bell, R. G. (2005). Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: Linked phenomena? The Journal of Physical Chemistry B 109, 14783-14785 doi:10.1021/jp0531309. Author URL

    2004

    • Bell, R. G., Foster, M. D., Simperler, A., Klinowski, J. (2004). Characterisation and evaluation of hypothetical zeolite frameworks. Studies in Surface Science and Catalysis 154, 1222- doi:10.1016/S0167-2991(04)80632-3.
    • Catlow, C. R. A., Bell, R. G., Slater, B. (2004). Static lattice modelling and structure prediction of micro- and mesoporous materials. In Catlow, C. R. A., van Santen, R. A., Smit, B. (Eds.). Computer Modelling of Microporous Materials ( ). Amsterdam Elsevier.
    • Foster, M. D., Friedrichs, O. D., Bell, R. G., Paz, F. A. A., Klinowski, J. (2004). Chemical evaluation of hypothetical uninodal zeolites. Journal of the American Chemical Society 126, 9769-9775 doi:10.1021/ja037334j. Author URL
    • Foster, M. D., Simperler, A., Bell, R. G., Friedrichs, O. D., Paz, F. A. A., Klinowski, J. (2004). Chemically feasible hypothetical crystalline networks. Nature Materials 3(4), 234-238 doi:10.1038/nmat1090. Author URL
    • Maurin, G., Bell, R. G., Devautour, S., Henn, F., Giuntini, J. C. (2004). Computational studies of hydration in Na+-mordenite zeolites. RECENT ADVANCES IN THE SCIENCE AND TECHNOLOGY OF ZEOLITES AND RELATED MATERIALS, PTS A - C. ( Vol. 154 pp.1606-1611). ELSEVIER SCIENCE BV.
    • Maurin, G., Bell, R. G., Devautour, S., Henn, F., Giuntini, J. C. (2004). Computational studies of hydration in Na+-mordenite zeolites. Studies in Surface Science and Catalysis 154, 1606- doi:10.1016/S0167-2991(04)80684-0.
    • Maurin, G., Bell, R. G., Devautour, S., Henn, F., Giuntini, J. C. (2004). Modeling the effect of hydration in zeolite Na+-mordenite. The Journal of Physical Chemistry B 108, 3739- doi:10.1021/jp034151a.
    • Maurin, G., Bell, R. G., Devautour, S., Henn, F., Giuntini, J. C. (2004). Theoretical prediction of low-frequency vibrations of extra-framework cations in mordenite zeolites. Physical Chemistry Chemical Physics 6, 182- doi:10.1039/b311655g.
    • Maurin, G., Bell, R. G., Senet, P., Devautour-Vinot, S. (2004). Static and dynamic properties of the nonframework cations in Na-mordenites zeolite. Molecular Simulation 30, 587- doi:10.1080/08927020410001717236.
    • Plant, D. F., Simperler, A., Bell, R. G. (2004). Adsorption of methanol on zeolite Y: An atomistic and quantum chemical study. Studies in Surface Science and Catalysis 154, 2739- doi:10.1016/S0167-2991(04)80548-2.
    • Simperler, A., Bell, R. G., Anderson, M. W. (2004). Probing the Acid Strength of Brønsted Acidic Zeolites with Acetonitrile: Quantum Chemical Calculation of 1H, 15N, and 13C NMR Shift Parameters. The Journal of Physical Chemistry B 108, 7142- doi:10.1021/jp035674l.
    • Simperler, A., Bell, R. G., Anderson, M. W. (2004). Probing the acid strength of Bronsted acidic zeolites with acetonitrile: Quantum chemical calculation of H-1, N-15, and C-13 NMR shift parameters. J PHYS CHEM B 108(22), 7142-7151 doi:10.1021/jp0356741.
    • 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.
    • Simperler, A., Foster, M. D., Bell, R. G., Klinowski, J. (2004). Hypothetical uninodal zeolite structures: Comparison of AlPO4 and SiO2 compositions using computer simulation. The Journal of Physical Chemistry B 108, 869- doi:10.1021/jp035936j.
    • Zwijnenburg, M. A., Bromley, S. T., Foster, M. D., Bell, R. G., Delgado Friedrichs, O., Jansen, J. C., Maschmeyer, T. (2004). Toward understanding the thermodynamic viability of zeolites and related frameworks through a simple topological model. Chemistry of Materials 16, 3809- doi:10.1021/cm049256k.

    2003

    • Cora, F., Alfredsson, M., Barker, C. M., Bell, R. G., Foster, M. D., Saadoune, I., Simperler, A., Catlow, C. R. A. (2003). Modeling the framework stability and catalytic activity of pure and transition metal-doped zeotypes. Journal of Solid State Chemistry 176(2), 496-529 doi:10.1016/S0022-4596(03)00275-5.
    • Foster, M. D., Friedrichs, O. D., Bell, R. G., Paz, F. A. A., Klinowski, J. (2003). Structural evaluation of systematically enumerated hypothetical uninodal zeolites. Angewandte Chemie International Edition 42(39), 3896-3896 doi:10.1002/anie.200351556. Author URL
    • Johnson, M., O'Connor, D., Barnes, P., Catlow, C. R. A., Owens, S. L., Sankar, G., Bell, R., Teat, S. J., Stephenson, R. (2003). Cation exchange, dehydration, and calcination in clinoptilolite: In Situ X-ray diffraction and computer modeling. The Journal of Physical Chemistry B 107(4), 942-951 doi:10.1021/jp021672.
    • Sanchez-Sanchez, M., Sankar, G., Simperler, A., Bell, R. G., Catlow, C. R. A., Thomas, J. M. (2003). The extremely high specificity of N-methyldicyclohexylamine for the production of the large-pore microporous AFI material. Catalysis Letters 88(3-4), 163-167

    2002

    • Simperler, A., Bell, R. G., Philippou, A., Anderson, M. W. (2002). Theoretical study of toluene adsorbed on zeolites X and Y: Calculation of C-13 NMR parameters. The Journal of Physical Chemistry B 106, 10944- doi:10.1021/jp0257799.

    2001

    • Foster, M. D., Bell, R. G., Klinowski, J. (2001). Characterisation of hypothetical zeolite frameworks. Studies in Surface Science and Catalysis 135, 255(16P13)-
    • Ramsahye, N. A., Bell, R. G. (2001). Cation mobility and the sorption of chloroform in zeolite NaY: a molecular dynamics study. Studies in Surface Science and Catalysis 135, 266(16P14)-
    • Simperler, A., Philippou, A., Luigi, D. -. P., Bell, R. G., Anderson, M. W. (2001). Theoretical investigation of the chemical shift anisotropy of toluene adsorbed on zeolite X. Studies in Surface Science and Catalysis 135, 243(13P16)-
    • Thomas, J. M., Raja, R., Johnson, B. F. G., Sankar, G., Bell, R. G. (2001). Single step, solvent-free processes: examples and prospects. Russian Chemical Bulletin 50, 2010- doi:10.1023/A:1015016410562.
    • Thomas, J. M., Raja, R., Sankar, G., Bell, R. G. (2001). Molecular sieve catalysts for the regioselective and shape-selective oxyfunctionalization of alkanes in air. Accounts of Chemical Research 34, 191- doi:10.1021/ar970020e. Author URL
    • 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

    2000

    • Andy, P., Martin, D., Guisnet, M., Bell, R. G., Catlow, C. R. A. (2000). Molecular Modeling of Carbonaceous Compounds Formed Inside the Pores of FER Zeolite during Skeletal Isomerization of n-Butene. The Journal of Physical Chemistry B 104, 4827- doi:10.1021/jp994169e.
    • Andy, P., Martin, D., Guisnet, M., Bell, R. G., Catlow, C. R. A. (2000). Molecular modeling of carbonaceous compounds formed inside the pores of FER zeolite during skeletal isomerization of n-butene. J PHYS CHEM B 104(20), 4827-4834
    • Catlow, C. R. A., Barker, C. M., Bell, R. G., Bromley, S. T., Coombes, D. S., Cora, F., French, S., Slater, B., Sokol, A. A., Whitmore, L., Woodley, S. M. (2000). Computer modelling of catalysts and catalysis. In Derouane, E. G., Lemos, F., Corma, A., Ribeiro, F. R. (Eds.). Combinatorial Catalysis and High Throughput Catalyst Design and Testing ( ). Dordrecht Kluwer.
    • Raynor, S. A., Thomas, J. M., Raja, R., Johnson, B. F. G., Bell, R. G., Mantle, M. D. (2000). A one-step, enantioselective reduction of ethyl nicotinate to ethyl nipecotinate using a constrained, chiral, heterogeneous catalyst. Chemical Communications , 1925- doi:10.1039/b005689h.
    • Thomas, J. M., Raja, R., Sankar, G., Bell, R. G. (2000). Redox molecular sieve catalysts for the aerobic selective oxidation of hydrocarbons. Studies in Surface Science and Catalysis 130, 887-

    1999

    • Bell, R. G. (1999). Computer modelling of mesoporous frameworks. Proceedings of the 12th International Zeolite Conference. ( pp.839-). Warrendale,Pennsylvania Materials Research Society.
    • Muncaster, G., Sankar, G., Catlow, C. R. A., Thomas, J. M., Bell, R. G., Wright, P. A., Coles, S., Teat, S. J., Clegg, W., Reeve, W. (1999). An in Situ Microcrystal X-ray Diffraction Study of the Synthetic Aluminophosphate Zeotypes DAF-1 and CoAPSO-44. Chemistry of Materials 11, 158- doi:10.1021/cm980604q.
    • Muncaster, G., Sankar, G., Catlow, C. R. A., Thomas, J. M., Bell, R. G., Wright, P. A., Coles, S., Teat, S. J., Clegg, W., Reeve, W. (1999). An in situ microcrystal X-ray diffraction study of the synthetic aluminophosphate zeotypes DAF-1 and CoAPSO-44. CHEM MATER 11(1), 158-163
    • Thomas, J. M., Raja, R., Sankar, G., Bell, R. G. (1999). Molecular-sieve catalysts for the selective oxidation of linear alkanes by molecular oxygen. Nature 398, 227- doi:10.1038/18417.
    • Thomas, J. M., Sankar, G., Klunduk, M. C., Attfield, M. P., Maschmeyer, T., Johnson, B. F. G., Bell, R. G. (1999). The identity in atomic structure and performance of active sites in heterogeneous and homogeneous, titanium-silica epoxidation catalysts. The Journal of Physical Chemistry B 103, 8809- doi:10.1021/jp991991.

    1998

    • Catlow, C. R. A., Ackermann, L., Bell, R. G., Cora, F., Gay, D. H., Nygren, M. A., Periera, J. C., Sastre, G., Slater, B., Sinclair, P. E. (1998). Introductory Lecture Computer modelling as a technique in solid state chemistry. Faraday Discussions 108, 1- doi:10.1039/a701964e.
    • 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.
    • Shephard, D. S., Maschmeyer, T., Sankar, G., Thomas, J. M., Ozkaya, D., Johnson, B. F. G., Raja, R., Oldroyd, R. D., Bell, R. G. (1998). Preparation, characterisation and performance of encapsulated copper-ruthenium bimetallic catalysts derived from molecular cluster carbonyl precursors. Chemistry - A European Journal 4, 1214- doi:10.1002/(SICI)1521-3765(19980710)4:7<1214::AID-CHEM1214>3.0.CO;2-E.
    • Zhou, W., Thomas, J. M., Shephard, D. S., Johnson, B. F. G., Ozkaya, D., Maschmeyer, T., Bell, R. G., Ge, Q. (1998). Ordering of ruthenium cluster carbonyls in mesoporous silica. Science 280, 705-708 doi:10.1126/science.280.5364.705.

    1997

    • Bell, R. G., Price, G. D. (1997). Silicates and Microporous Materials. In Catlow, C. R. A. (Ed.). Computer Modeling in Inorganic Crystallography ( ). London Academic Press.
    • Catlow, C. R. A., Ackermann, L., Bell, R. G., Cora, F., Gay, D. H., Nygren, M. A., Pereira, J. C., Sastre, G., Slater, B., Sinclair, P. E. (1997). Computer modelling as a technique in solid state chemistry - Introductory lecture. FARADAY DISCUSS 106(106), 1-40
    • 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.
    • 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.
    • 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.
    • Shephard, D. S., Maschmeyer, T., Johnson, B. F. G., Thomas, J. M., Sankar, G., Ozkaya, D., Zhou, W., Oldroyd, R. D., Bell, R. G. (1997). Bimetallic nanoparticle catalysts anchored inside mesoporous silica. Angewandte Chemie International Edition 36, 2242- doi:10.1002/anie.199722421.
    • Thomas, J. M., Bell, R. G., Wright, P. A. (1997). A synoptic guide to zeolites and their catalytic properties. In Ertl, G., Knözinger, H., Weitkamp, J. (Eds.). A Handbook of Heterogenous Catalysis ( ). Weinheim VCH.

    1996

    • Anderson, P. A., Bell, R. G., Catlow, C. R. A., Chang, F. L., Dent, A. J., Edwards, P. P., Gameson, I., Hussain, I., Porch, A., Thomas, J. M. (1996). Matrix-Bound Nanochemical Possibilities. Chemistry of Materials 8, 2144- doi:10.1021/cm960167k.
    • Anderson, P. A., Bell, R. G., Catlow, C. R. A., Chang, F. L., Dent, A. J., Edwards, P. P., Gameson, I., Hussain, I., Porch, A., Thomas, J. M. (1996). Matrix-bound nanochemical possibilities. CHEM MATER 8(8), 2114-2120
    • Kaszkur, Z. A., Jones, R. H., Bell, R. G., Catlow, C. R. A., Thomas, J. M. (1996). The location of para xylene in the pores of a model ferrierite catalyst a powder diffraction and computational study. Molecular Physics 89, 1345- doi:10.1080/002689796173228.
    • Kaszkur, Z. A., Jones, R. H., Bell, R. G., Catlow, C. R. A., Thomas, J. M. (1996). The location of para-xylene in the pores of a model ferrierite catalyst: A powder diffraction and computational study. MOL PHYS 89(5), 1345-1357
    • 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.
    • Rey, F., Sankar, G., Maschmeyer, T., Thomas, J. M., Bell, R. G., Greaves, G. N. (1996). Synthesis and characterisation by X-ray absorption spectroscopy of a suite of seven mesoporous catalysts containing metal ions in framework sites. Topics in Catalysis 3, 121- doi:10.1007/BF02431182.
    • Sankar, G., Bell, R. G., Thomas, J. M., Anderson, M. W., Wright, P. A., Rocha, J. (1996). Determination of the structure of distorted TiO6 units in the titanosilicate ETS-10 by a combination of X-ray absorption spectroscopy and computer modeling. Journal of Physical Chemistry 100, 449- doi:10.1021/jp952205d.

    1995

    • Catlow, C. R. A., Bell, R. G., Gale, J. D., Lewis, D. W. (1995). Modelling of structure and reactivity in zeolites. Studies in Surface Science and Catalysis 97, 100- doi:10.1016/S0167-2991(06)81877-X.
    • 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.

    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-
    • BRENNAN, D., BELL, R. G., CATLOW, C. R. A., JACKSON, R. A. (1994). THE COMPUTER MODELING OF LANTHANUM IN THE FRAMEWORK OF FAUJASITE .1. ANHYDROUS LANTHANUM ZEOLITE. ZEOLITES 14(8), 650-659
    • Brennan, D., Bell, R. G., Jackson, R. A., Catlow, C. R. A. (1994). The computer modeling of lanthanum in the framework of faujasite: Part 1. Anhydrous lanthanum zeolite. Zeolites 14, 650- doi:10.1016/0144-2449(94)90122-8.
    • Catlow, C. R. A., Bell, R. G. (1994). Ions and ionic motion in microporous materials. Solid State Ionics 70-71, 511- doi:10.1016/0167-2738(94)90363-8.
    • CATLOW, C. R. A., BELL, R. G. (1994). IONS AND IONIC MOTION IN MICROPOROUS MATERIALS. SOLID STATE IONICS. ( Vol. 70 pp.511-517). ELSEVIER SCIENCE BV.
    • CATLOW, C. R. A., BELL, R. G., GALE, J. D. (1994). COMPUTER MODELING AS A TECHNIQUE IN MATERIALS CHEMISTRY. J MATER CHEM 4(6), 781-792
    • Catlow, C. R. A., Bell, R. G., Gale, J. D. (1994). Computer modelling as a technique in materials chemistry. Journal of Materials Chemistry 4, 781- doi:10.1039/JM9940400781.
    • Thomas, J. M., Bell, R. G., Wright, P. A. (1994). LANDMARKS IN THE EVOLUTION OF HETEROGENEOUS CATALYSTS. Bulletin de la Societe Chimique de France 131, 463-

    1993

    • Bell, R. G., Jackson, R. A., Catlow, C. R. A. (1993). Computer simulation of microporous solids. Proceedings of the 9th International Zeolite Conference. ( Vol. I pp.703-). Boston Butterworth-Heinemann.
    • Catlow, C. R. A., Thomas, J. M., Freeman, C. M., Wright, P. A., Bell, R. G. (1993). SIMULATING AND PREDICTING CRYSTAL-STRUCTURES. Proceedings of the Royal Society A: Mathematical and Physical Sciences 442(1914), 85-96 doi:10.1098/rspa.1993.0092.
    • Newsam, J. M., Deem M W, F., C M, G., A M, B., R G, E. A. (1993). An overview of recent scientific progress in the Catalysis and Sorption project. Computer-aided innovation of new materials II. ( pp.1003-). Amsterdam Elsevier.
    • Wright, P. A., Jones, R. H., Natarajan, S., Bell, R. G., Chen, J., Hursthouse, M. B., Thomas, J. M. (1993). SYNTHESIS AND STRUCTURE OF A NOVEL LARGE-PORE MICROPOROUS MAGNESIUM-CONTAINING ALUMINOPHOSPHATE (DAF-1). Journal of the Chemical Society, Chemical Communications , 633- doi:10.1039/C39930000633.

    1992

    • Bell, R. G., Jackson, R. A., Catlow, C. R. A. (1992). Löwenstein's rule in zeolite A: A computational study. Zeolites 12, 870- doi:10.1016/0144-2449(92)90065-W.
    • BELL, R. G., JACKSON, R. A., CATLOW, C. R. A. (1992). LOWENSTEIN RULE IN ZEOLITE-A - A COMPUTATIONAL STUDY. ZEOLITES 12(7), 870-871
    • Freeman, C. M., Levine, S. M., Newsam, J. M., Sauer, J., Tomlinson, S. M., Brickmann, J., Bell, R. G. (1992). Zeolite computer graphics. In Catlow, C. R. A. (Ed.). Modelling of Structure and Reactivity in Zeolites ( ). London Academic Press.
    • Wright, P. A., Natarajan, S., Thomas, J. M., Bell, R. G., Gai-Boyes, P. L., Jones, R. H., Chen, J. (1992). SOLVING THE STRUCTURE OF A METAL-SUBSTITUTED ALUMINUM PHOSPHATE CATALYST BY ELECTRON-MICROSCOPY, COMPUTER-SIMULATION, AND X-RAY-POWDER DIFFRACTION. Angewandte Chemie International Edition 31, 1472- doi:10.1002/anie.199214721.

    1990

    • Bell, R. G., Jackson, R. A., Catlow, C. R. A. (1990). Computer simulation of the monoclinic distortion in silicalite. Journal of the Chemical Society, Chemical Communications , 782- doi:10.1039/C39900000782.
    • BELL, R. G., JACKSON, R. A., CATLOW, C. R. A. (1990). COMPUTER-SIMULATION OF THE MONOCLINIC DISTORTION IN SILICALITE. J CHEM SOC CHEM COMM (10), 782-783

    1989

    • Bell, R. G., Weller, M. T. (1989). Proton mobility and the structure of MoO2HPO4·H2O. Solid State Ionics 35, 79- doi:10.1016/0167-2738(89)90015-5.
    • Jackson, R. A., Bell, R. G., Catlow, C. R. A. (1989). Computer simulation studies of zeolite structure and stability. Studies in Surface Science and Catalysis 52, 203-

    1988

    • Bell, R. G., Weller, M. T. (1988). Structure of the proton conductor, cubic HSbO3·xH2O. Solid State Ionics 28-30, 601- doi:10.1016/S0167-2738(88)80109-7.
    • Weller, M. T., Bell, R. G. (1988). The structure of MoO2DPO4.D2O by powder neutron diffraction. Acta Crystallographica Section C C44(9), 1516-1518 doi:10.1107/S0108270188005682.