Search research publications and outputs

  1. 2003
  2. A NH3-responding material based on Reichardt's dye-impregnated mesoporous silica.

    Onida, B., Fiorilli, S., Gobetto, R., Russo, A., Macquarrie, D. J. & Garrone, E., Jun 2003, Nanotechnology in Mesostructured Materials. Elsevier Press, p. 453-456 4 p. (Studies in Surface Science and Catalysis; vol. 146).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  3. Covalent bonding of Disperse Red 1 in HMS silica: synthesis and characterization

    Onida, B., Borello, L., Fiorilli, S., Barolo, C., Viscardi, G., Macquarrie, D. J. & Garrone, E., Jun 2003, Nanotechnology in Mesostructured Materials. Elsevier Press, p. 375-378 4 p. (Studies in Surface Science and Catalysis; vol. 146).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  4. Mesoporous solids for green chemistry

    Clark, J. H., Jun 2003, Nanotechnology in Mesostructured Materials. Elsevier Press, p. 551-556 6 p. (Studies in Surface Science and Catalysis ; vol. 146).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  5. Crystal Structures of Periplasmic Solute Binding Proteins in ABC-Transport Complexes Illuminate their Function

    Wilkinson, T. & Verschueren, K. H. G., 2003, ABC Proteins: From Bacteria to Man. Holland, IB., Cole, SPC., Kuchler, K. & Higgins, CF. (eds.). London, U.K.: Academic Press, p. 187-208

    Research output: Chapter in Book/Report/Conference proceedingChapter

  6. Electronic Spectroscopy of Diatomic Molecules

    Bernath, P. F., 2003, Handbook of Molecular Physics and Quantum Chemistry. John Wiley & Sons

    Research output: Chapter in Book/Report/Conference proceedingChapter

  7. Intercontinental Transport Of Ozone And Precursors

    Purvis, R. M., Lewis, A., Pilling, M. J., Heard, D. E., McQuaid, J. B., Ingham, T., Pyle, J. A., Law, K. S., O'Connor, F. M., Jones, J. R., Methven, J., Penkett, S. A., Reeves, C. E., Monks, P. S., Singh, H. B., Jacob, D. J., Hov, O., Coe, H. & Williams, P., 2003, EXPORT-E2 European Export of Particulates and Ozone by Long-Range Transport EUROTRAC-2. p. 141-143

    Research output: Chapter in Book/Report/Conference proceedingChapter

  8. Metallomesogens

    Donnio, B., Guillon, D., Deschenaux, R. & Bruce, D. W., 2003, Comprehensive Coordination Chemistry II. McCleverty, JA. & Meyer, TJ. (eds.). Oxford, UK: Elsevier Press, Vol. 7. p. 357-627

    Research output: Chapter in Book/Report/Conference proceedingChapter

  9. Molecular Spectroscopy and Structure

    Bernath, P. F., 2003, AIP Physics Desk Reference. Cohen, ER., Lide, DR. & Trigg, G. (eds.). 3 ed. New York: Springer-Verlag

    Research output: Chapter in Book/Report/Conference proceedingChapter

  10. Nanosecond time-resolved resonance Raman Spectroscopy of Functional (diimine)Re(CO)3(L) complexes: novel alkynyl- and styryl-azacrown systems

    Lewis, J. D., Moore, J. N. & Clark, I. P., 2003, Rutherford Appleton Laboratory Annual Report 2002/2003. p. 129-130

    Research output: Chapter in Book/Report/Conference proceedingChapter

  11. Photochromic Processes for High Density Optical Storage

    Ramanujam, P. S., Berg, R. H., Hvilsted, S., Matharu, A. S., Nedelchev, L. & Loroncz, E., 2003, Optical Data Storage Technical Digest . Washington, DC, USA: The Optical Society of America, p. 66-69

    Research output: Chapter in Book/Report/Conference proceedingChapter

  12. Physical Chemist

    Dessent, C. E. H., 2003, Science, Not Art: Ten Scientists’ Diaries. Turney, J. (ed.). London, U.K.: Calouste Gulbenkian Foundation, p. 128-141

    Research output: Chapter in Book/Report/Conference proceedingChapter

  13. Routes to fluorinated organic derivatives by nickel-mediated C-F activation of heteroaromatics

    Braun, T. & Perutz, R. N., 2003, Perspectives in Organometallic Chemistry. Screttas, CG. & Steele, BR. (eds.). Cambridge, U.K.: Royal Society of Chemistry, p. 136-151

    Research output: Chapter in Book/Report/Conference proceedingChapter

  14. Spatial Wavefunctions

    Karadakov, P. B., 2003, Handbook of Molecular Physics and Quantum Chemistry. Wilson, S., McWeeny, R., Bernath, P. & Ortiz, V. (eds.). Chichester: John Wiley & Sons, Vol. 2. p. 33-40

    Research output: Chapter in Book/Report/Conference proceedingChapter

  15. Spin Functions

    Karadakov, P. B., 2003, Handbook of Molecular Physics and Quantum Chemistry. Wilson, S., McWeeny, R., Bernath, P. & Ortiz, V. (eds.). Chichester: John Wiley & Sons, Vol. 2. p. 25-32

    Research output: Chapter in Book/Report/Conference proceedingChapter

  16. Spin-Coupled Theory

    Gerratt, J., Cooper, D. L., Karadakov, P. B. & Raimondi, M., 2003, Handbook of Molecular Physics and Quantum Chemistry. Wilson, S., McWeeny, R., Bernath, P. & Ortiz, V. (eds.). Chichester: John Wiley & Sons, Vol. 2. p. 148-168

    Research output: Chapter in Book/Report/Conference proceedingChapter

  17. 2002
  18. Guanidine catalysts supported on micelle templated silicas. New basic catalysts for organic chemistry

    Macquarrie, D. J., Utting, K. A., Brunel, D., Renard, G. & Blanc, A., Aug 2002, Impact of Zeolites and other Porous Materials on the New Technologies at the Beginning of the New Millennium. Elsevier Press, p. 1473-1480 8 p. (Studies in Surface Science and Catalysis ; vol. 142).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  19. Preparation of novel organic-inorganic hybrid micelle templated silicas. Comparison of different routes for materials preparation

    Macquarrie, D. J., Jackson, D. B., King, B. L. & Watson, A., Aug 2002, Impact of Zeolites and other Porous Materials on the New Technologies at the Beginning of the New Millennium. Elsevier Press, p. 1125-1132 8 p. (Studies in Surface Science and Catalysis ; vol. 142).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  20. Ocean-Atmosphere Exchange Of Reactive Halocarbons And Hydrocarbons

    Carpenter, L. J. & Lewis, A., Jun 2002, Recent Research Developments in Geophysics . Research Signpost, Vol. 4. p. 45-56

    Research output: Chapter in Book/Report/Conference proceedingChapter

  21. Polymerisations in mesoporous environments

    Clark, J., Macquarrie, D., Sage, V., Shorrock, K. & Wilson, K., May 2002, Nanoporous Materials III. Elsevier Press, Vol. 141. p. 631-633 3 p. (Studies in Surface Science and Catalysis ; vol. 141).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  22. Baeyer-Villiger Monooxygenases

    Grogan, G. J. & Flitsch, S. L., 2002, Enzymes in organic Synthesis: A Comprehensive handbook. Waldmann, H. (ed.). John Wiley & Sons

    Research output: Chapter in Book/Report/Conference proceedingChapter

  23. Computational Methods for Protein Folding: Scaling a Hierarchy of Complexities

    Chan, H. S., Kaya, H. & Shimizu, S., 2002, Current Topics in Computational Molecular Biology. Jiang, T., Xu, Y. & Zhang, MQ. (eds.). Boston, USA: MIT Press, p. 403-447

    Research output: Chapter in Book/Report/Conference proceedingChapter

  24. Hydroxylation Reactions

    Grogan, G. J., Ashcroft, D. & Flitsch, S. L., 2002, Enzymes in organic Synthesis: A comprehensive handbook. Waldmann, H. (ed.). John Wiley & Sons

    Research output: Chapter in Book/Report/Conference proceedingChapter

  25. Implementing research findings into practice: beyond the information deficit model. In:

    Marteau, T., Sowden, A. & Armstrong, D., 2002, Getting research findings into practice. 2nd ed.. Haines, A. & Donald, A. (eds.). London: BMJ Publications;, p. p19-28

    Research output: Chapter in Book/Report/Conference proceedingChapter

  26. Infrared Laser Spectroscopy of Transient Species

    Bernath, P. F., 2002, An Introduction to Laser Spectroscopy. Andrews, DL. & Demidov, AA. (eds.). 2 ed. New York: Kluwer Academic/Plenum Publishers

    Research output: Chapter in Book/Report/Conference proceedingChapter

  27. Modern Valence Bond Description of Gas-Phase Pericyclic Reactions

    Cooper, D. L., Karadakov, P. B. & Thorsteinsson, T., 2002, Valence Bond Theory. Cooper, DL. (ed.). Amsterdam, The Netherlands: Elsevier Press, p. 41-53

    Research output: Chapter in Book/Report/Conference proceedingChapter

  28. Nanosecond time-resolved resonance Raman Spectroscopy of Functional (diimine)Re(CO)3(L) complexes

    Lewis, J. D., Moore, J. N. & Clark, I. P., 2002, Rutherford Appleton Laboratory Annual Report 2001/2002. p. 108-109

    Research output: Chapter in Book/Report/Conference proceedingChapter

  29. Process Intensification: a catalytic spinning disc reactor for the rearrangement of a-pinene oxide

    Vicevic, M., Jachuck, R. J., Scott, K., Clark, J. H., MacQuarrie, D. J. & Wilson, K., 2002, Handbook of Green Chemistry & Technology. Clark, J. H. & Macquarrie, D. J. (eds.). Oxford: Blackwell

    Research output: Chapter in Book/Report/Conference proceedingChapter

  30. Spectroscopic studies on aminopropyl-containing micelle templated silican comparison of grafted and co-codensation routes

    Brunel, D., Blanc, A. C., Garrone, E., Onida, B., Rocchia, M., Nagy, J. B. & Macquarrie, D. J., 2002, Impact of Zeolites and other Porous Materials on the New Technologies at the Beginning of the New Millennium. Elsevier Press, Vol. 142. p. 1395-1402 8 p. (Studies in Surface Science and Catalysis; vol. 142).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  31. Strategic resource allocation and funding decisions

    Rice, N., Smith, P. C., Mossialos, E. (ed.), Dixon, A. (ed.), Figueras, J. (ed.) & Kutzin, J. (ed.), 2002, Funding health care: options for Europe. Open University Press

    Research output: Chapter in Book/Report/Conference proceedingChapter

  32. 2001
  33. The materials chemistry of alkoxystilbazoles and their metal complexes

    Bruce, D. W., Sep 2001, Advances in Inorganic Chemistry 52. Sykes, AG. (ed.). Elsevier Science, p. 151-204 54 p. (Advances in Inorganic Chemistry; vol. 52).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  34. DM/DMMULTI software for phase improvement by density modification

    Cowtan, K. D., Zhang, K. Y. J. & Main, P., 1 Jul 2001, International Tables for Crystallography, Crystallography of Biological Macromolecules. Rossmann, MG. & Arnold, E. (eds.). Dordrecht, The Netherlands: Kluwer Academic Publishers, Vol. F.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  35. Density Modification

    Zhang, K. Y. J., Cowtan, K. D. & Main, P., 1 Jul 2001, International Tables for Crystallography, Crystallography of Biological Macromolecules. Rossmann, MG. & Arnold, E. (eds.). Dordrecht, The Netherlands: Kluwer Academic Publishers, Vol. F.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  36. Aldol condensation and related reactions

    MacQuarrie, D. J. & Brunel, D., 2001, Fine Chemicals Through Heterogeneous Catalysis. Sheldon, R. A. & van Bekkum, H. (eds.). Wiley-VCH

    Research output: Chapter in Book/Report/Conference proceedingChapter

  37. Atmospheric Chemistry Experiment (ACE): An overview

    Bernath, P., 2001, Spectroscopy From Space. Springer, p. 147-160 14 p. (NATO SCIENCE SERIES, SERIES II: MATHEMATICS, PHYSICS AND CHEMISTRY; vol. 20).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  38. Confronting Modern Valence Bond Theory with Momentum-Space Quantum Similarity and with Pair Density Analysis

    Cooper, D. L., Alan, NL. & Karadakov, P. B., 2001, The Fundamentals of Molecular Similarity. Carbó-Dorca, R. (ed.). Dordrecht: Kluwer, p. 169-180 (Mathematical and Computational Chemistry).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  39. EUTELSAT satellite collocation

    Pattinson, L. & Chechik, V., 2001, ASTRODYNAMICS 2001, PTS I-III . UNIVELT INC, p. 255-272 18 p. (ADVANCES IN THE ASTRONAUTICAL SCIENCES; vol. 109).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  40. Green chemistry on the inside: mesoporous materials for clean chemistry

    MacQuarrie, D. J., 2001, Visions of the Future: Chemistry and Life Science. Thompson, J. M. T. (ed.). Cambridge University Press

    Research output: Chapter in Book/Report/Conference proceedingChapter

  41. Guanidine catalysts supported on silica and micelle templated silicas. New basic catalysts for organic chemistry

    Macquarrie, D. J., Mdoe, J. E. G., Brunel, D., Renard, G. & Blanc, A., 2001, Supported Catalysts and Their Applications. Royal Society of Chemistry, p. 196-202 7 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  42. Immobilised lewis acids and their use in organic chemistry

    Clark, J. H., Lambert, A., Macquarrie, D. J., Nightingale, D. J., Price, P. M., Shorrock, J. K. & Wilson, K., 2001, Supported Catalysts and Their Applications. Royal Society of Chemistry, p. 48-54 7 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  43. Kinetics and domain formation in surface reactions by inverted chemical force microscopy and FTIR Spectroscopy

    Schönherr, H., Chechik, V., Stirling, C. J. M. & Vancso, G. J., 2001, Interfacial properties on the submicrometer scale . Frommer, J. & Overney, R. M. (eds.). Washington: American Chemical Society, Vol. 781. p. 36-57 (ACS Symposium Series).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  44. Molecular Life of Proteins: Folding and Stability

    Ooi, T. & Shimizu, S., 2001, Recent Research Developments in Protein Folding, Stability, and Design. Gromiha, MM. & Selvaraj, S. (eds.). Kerala, India: Research Signpost, p. 243-264

    Research output: Chapter in Book/Report/Conference proceedingChapter

  45. Multidimensional High Resolution Gas Chromatography

    Lewis, A., 2001, Multidimensional Chromatography . Lewis, AC., Mondello, L. & Bartle, KD. (eds.). Chichester, UK: John Wiley & Sons

    Research output: Chapter in Book/Report/Conference proceedingChapter

  46. Organic Bases Attached to Mesoporous Silicas as Solid Catalyts

    MacQuarrie, D. J. & Brunel, D., 2001, Fine Chemicals Through Heterogeneous Catalysis. Sheldon, R. A. & van Bekkum, H. (eds.). Wiley-VCH

    Research output: Chapter in Book/Report/Conference proceedingChapter

  47. Organic modification of hexagonal mesoporous silica

    Jackson, D. B., Macquarrie, D. J. & Clark, J. H., 2001, Supported Catalysts and Their Applications. Royal Society of Chemistry, p. 203-213 11 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  48. Principles of Monochromatic Data Collection

    Dauter, Z. & Wilson, K. S., 2001, International Tables for Crystallography, Volume F. Crystallography of Biological Macromolecules. Rossmann, MG. & Arnold, E. (eds.). Dordrecht, The Netherlands: Kluwer Academic Publishers, Vol. F.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  49. Refinement at atomic resolution

    Dauter, Z., Murshudov, G. N. & Wilson, K. S., 2001, International Tables for Crystallography, Volume F. Crystallography of Biological Macromolecules. Rossmann, MG. & Arnold, E. (eds.). Dordrecht, The Netherlands: Kluwer Academic Publishers, Vol. F.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  50. Selectivity of double-quantum filtered rotational-resonance experiments on larger-than-two-spin systems

    Bechmann, M., Helluy, X. & Sebald, A., 2001, PERSPECTIVES ON SOLID STATE NMR IN BIOLOGY. Springer, p. 23-31 9 p. (Focus on Structural Biology; vol. 1).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  51. Structural and reactive properties of supported transition metal triflates

    Wilson, K. & Clark, J. H., 2001, Supported Catalysts and Their Applications. Royal Society of Chemistry, p. 255-261 7 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  52. Symmetry-separated (sigma+pi) vs bent-bond (Omega) models of first-row transition-metal methylene cations

    Ogliaro, F., Loades, S. D., Cooper, D. L. & Karadakov, P. B., 2001, NEW TRENDS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 1 - BASIC PROBLEMS AND MODEL SYSTEMS. Springer, p. 281-311 31 p. (Progress in Theoretical Chemistry and Physics; vol. 6).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  53. The ARP/wARP suite for automated construction and refinement of protein models

    Lamzin, V. S., Perrakis, A. & Wilson, K. S., 2001, International Tables for Crystallography, Volume F. Crystallography of Biological Macromolecules. Rossmann, MG. & Arnold, E. (eds.). Dordrecht, The Netherlands: Kluwer Academic Publishers, Vol. F.

    Research output: Chapter in Book/Report/Conference proceedingChapter