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REPORT OF DR. LEE’S PROFESSOR OF FOR THE YEAR ENDED 31st July 2003

Over the past year, several members of the Department were honoured in different ways, and we extend our warm congratulations to them all. We are delighted with the election of Professor John Brown to Fellowship of the Royal Society. Professor was elected to Honorary Membership of the American Academy of Arts and Sciences, as well as being elected a Fellow of the American Association for the Advancement of Science. In addition, he was elected to the Council of the Royal Society, and was awarded the of the Gas Kinetics Discussion Group of the Royal Society of Chemistry. Professor Richard Compton was nominated visiting Professor at the University of Săo Paulo in Brazil over the last summer. Professor Jacob Klein was awarded the Prize Lecture of the Colloid and Interface Division of the Japanese , while Professor Paul Madden was awarded the Statistical Mechanics and Simulation Industrial Award of the Royal Society of Chemistry sponsored by Unilever. Professor Richard Wayne was honoured by being chosen as the Hauptvortrag speaker at the 10th Fachbereichstag at the University of Wuppertal. Of our junior members, we note with pleasure that Jay Wadhawan, a 3rd year D.Phil. in Richard Compton’s group, was awarded a two-year Study Abroad Studentship by the Leverhulme Trust, while Susan Perkin, working in Jacob Klein’s group, was elected to a Jowett Senior Scholarship at Balliol.

We were sorry to mark the death in September 2002 of Dr. Alastair Dean. Alastair Dean did his D.Phil. with Cyril Hinshelwood in the late 40s and early 50s, and was a Senior Research Officer (later Lecturer) in the Department from 1955, as well as a Fellow of St. Cross College. He retired in 1986. He was one of Professor Hinshelwood’s right-hand men: They co- authored books together and were leaders in the field of kinetics of bacterial cell growth. We are also sorry to note the death of Winnie Nelson in January 2003. She joined the Department in 1973 as Secretary to the then Head of Department, and was John Rowlinson’s Secretary from early 1974 to 1986.

The retirement of Professor Keith McLauchlan, after 37 years in the Department, was marked with a memorable dinner held in Corpus Christie in October 2002. Some forty members of the Department joined Keith and his wife that evening, including several former Heads of Department from Sir onwards.

This year saw a large number of welcome new appointments. Professor David Clary and his research group joined the Department from UCL on his appointment as Head of the Mathematical and Physical Sciences Division. We congratulate our two new Royal Society University Research Fellows, Dr. Carmen Domene, who comes to us from Biochemistry and is joining the Theoretical group, and Dr. Simon Titmuss in Professor Jacob Klein’s group. They join our other three Royal Society URFs appointed last year. Dr. Rebecca Jockusch, who joined Professor John Simon’s group as a Royal Society USA Research Fellow, was awarded a Junior Research Fellowship at Linacre College, while Dr. Lavina Snoek was appointed Research Fellow at Corpus Christie College and Dr. Claire Vallance was appointed to Tutorial Fellowship at Hertford College from October 2003.

Mr. Allan Whittow, who stood in as administrator while Mr. Nigel Mogg was away, has now left us, and we wish him well in his new role as Financial Officer of the Department of Chemistry as a whole. We welcome Nigel back to full-time ‘administering’ from his year as High Sheriff of Oxfordshire. Professor Graham Richard was reappointed for a further four-year term as Chairman of the Chemistry Department.

Members of the Department were involved in organising several international conferences and workshops. Dr. Peter Grout organised a successful Summer School in Molecular -2-

Physics and Quantum Chemistry in August 2002. Professor Madden organised the Royal Society of Chemistry 19th EUCHEM Molten Salts Conference at St. John’s College in September 2002, and Professor David Logan was a co-organiser of an International Workshop on Modern Aspects of Quantum Impurity Physics held at Dresden in the spring of 2003. In addition, a half-day symposium for the Royal Society of Chemistry on Liquid Crystals and Nanostructured Materials was held in the Department, incorporating the RSC Tilden Lecture by Professor Goodby and the RACI Rennie Lecture by Dr. Frank Caruso. A new seminar series on Biophysical Chemistry was convened this year by Dr. Lavina Snoek, and has already attracted several distinguished speakers from within and from out of Oxford. This brings to four the number of regular seminar series taking place in the Department during term, including, in addition to Biophysical Chemistry and the general Monday Departmental Seminar, also the Theoretical Chemistry and the , Biomaterials, and Interfaces series.

We hosted several distinguished visitors and notable lecturers over the past year. In particular, we should note the Hinshelwood Lectures delivered this year by Professor Steven Chu (Stanford University). His spectacular series, entitled Looking at how individual molecules go about their business, covered a very wide range of topics from Polymer Physics through Molecular Biology to Laser Cooling of Atoms, the subject for which he received the Nobel Prize in 1997, and attracted increasingly large audiences with each lecture. We look forward to welcoming Professor Graham Fleming (Berkeley) who will be giving the 2004 Hinshelwood lectures. This year we initiated a new scheme, generously funded by Schlumberger, the Schlumberger Visiting Professorships, which enables distinguished academics from abroad to visit us for periods of a month or more. Our first two Schlumberger Visiting Professors this year were Professor Eugenia Kumacheva (University of Toronto) and Professor Michael Klein (University of Pennsylvania), an old friend of the Department (who was also this year elected FRS). We look forward to welcoming two more old friends, Professor David Chandler (Berkeley) and Professor (Stanford), as Schlumberger Visiting Professors in the coming year.

We were happy to host many other visitors. In addition to our ‘regulars’, Professor Ian Beattie (University of Southampton) and Professor Itamar Burak (University of Tel Aviv), we welcomed Professor Martina Havinith (University of Bochum), Professor Trevor Letcher (University of Natal, South Africa), Dr. Adelio Matamala (University of Concepcion, Chile), Professor Merckt (ETH Zurich), and Dr. Pandurangappa (University of Bangalore). Joining them also was Dr. Abdollah Salimi (Kurdistan, Iran), Professor Schaefer (Ilmenau), Professor Andre Stolyarov (University of Moscow), Dr. Irina Svir (University of Kharkov, Ukraine), Professor Varberg (McAlaster College) in Minnesota and Professor Kechen Wu (Fujian, China).

Research activity has continued strongly. We note that Professors Gus Hancock and Tim Softley are part of the Oxford-Bristol Chemistry Partnership which received one of the new five-year Portfolio Awards from the EPSRC, one of only eight such awards countrywide. Overall level of research funding has remained strong at a lab total of close to £3M, while the number of publications appearing in this report has stayed close to the record levels of previous years. We welcome 26 new graduate students, bringing to over 80 the number of graduates admitted over the past 3 years. We note, in particular, that half of this year’s intake is from outside the UK.

I end by noting that strong pressure on space in the Department has continued in the past year while the move to the new Chemistry Research Laboratories is delayed to early 2004. By the time this report comes out next year, however, we should be well settled with our new arrangements. We will have relocated the groups currently in the Central Chemistry Laboratory, so that (with one exception) all of Physical and Theoretical Chemistry will by then be housed either in the main Physical Chemistry building or across the road in the new Chemistry Research Laboratory.

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PUBLICATIONS

P.W. Atkins

Atkins, P.W. Galileo’s Finger: The Ten Great Ideas of Science, Oxford University Press, 2003.

C.D. Bain

Battal, T., Bain, C.D., Weiss, M. and Darton, R.C. Surfactant adsorption and Marangoni flow in liquid jets. I. Experiments. J. Coll. Interface Sci. 263, 250– 260, 2003. Battal, T., Shearman, G.C., Valkovska, D., Bain, C.D., Darton, R.C. and Eastoe, J. Determination of the dynamic surface excess of a homologous series of cationic surfactants by ellipsometry. Langmuir 19, 1244–1248, 2003. Matsubara, H., Ikeda, N., Takiue, T., Aratono, M. and Bain, C.D. Interfacial films and wetting behavior of hexadecane on aqueous solutions of dodecyltrimethylammonium bromide. Langmuir 19, 2249–2253, 2003. Matthews, J.R., Tuncel, D., Jacobs, R.M.J., Bain, C.D. and Anderson, H.L. Surfaces designed for charge reversal. J. Am. Chem. Soc. 125, 6428–6433, 2003. Valkovska, D., Wilkinson, K.M., Campbell, R.A., Bain, C.D., Wat, R. and Eastoe, J. Measurement of the dynamic surface excess of the nonionic surfactant C8E4OMe by neutron reflection and ellipsometry. Langmuir 19, 5960–5962, 2003. Weiss, M., Darton, R.C., Battal, T. and Bain, C.D. Surfactant effects in liquid jets. Proceedings of the 15th International Congress of Chemical and Process Engineering (CHISA 2002), ČSCHI, E4.6, 2003.

M. Brouard and C. Vallance

Bass, M.J., Brouard, M., Clark, A.P. and Vallance, C. Fourier moment analysis of velocity-map ion images. J. Chem. Phys. 117, 8723–8735, 2002. Bass, M.J., Brouard, M., Clark, A.P., Vallance, C. and Martínez-Haya, B. Angular 2 momentum alignment of Cl( P3/2) in the 308 nm photolysis of Cl2 determined using Fourier moment velocity-map imaging. Phys. Chem. Chem. Phys. 5, 856–864, 2003. Brouard, M., Burak, I., Marinakis, S., Minayev, D., O’Keeffe, P., Vallance, C., Aoiz, F.J., BaZares, L., Castillo, J.F., Zhang, D.H., Xie, D., Yang, M., Lee, S.-Y. and Collins, M.A. Cross section for the H + H2O abstraction reaction: experiment and theory. Phys. Rev. Letts. 90, 093201-1 –093201-4, 2003. Brouard, M., Burak, I., Minayev, D., O’Keeffe, P., Vallance, C., Aoiz, F.J., BaZares, L., Castillo, J.F., Zhang, D.H. and Collins, M.A. The dynamics of the H + D2O 6 OD + HD reaction at 2.5 EV: experiment and theory. J. Chem. Phys. 118, 1162–1174, 2003. -4-

Brouard, M., Clark, A., Vallance, C. and Vasyutinskii, O.S. Velocity-map imaging 3 study of the O( P) + N2 product channel following 193 nm photolysis of N2O. J. Chem. Phys. 119, 771–780, 2003.

J.M. Brown

Ashworth, S.H., Hodges, P.J. and Brown, J.M. The detection of the electronic spectrum of FeCl2 in the gas phase. Phys. Chem. Chem. Phys. 4, 5923–5924, 2002. Carrington, A. and Brown, J.M. Rotational Spectroscopy of Diatomic Molecules. Cambridge University Press, 2003. Ganser, H., Urban, W. and Brown, J.M. The sensitive detection of NO by Faraday modulation spectroscopy with a quantum cascade laser. Molec. Phys. 101, 545– 550, 2003. Hill, C., Newnham, D.A. and Brown, J.M. Pressure-shift measurements of the oxygen A-band by Fourier-transform spectroscopy. J. Molec. Spectrosc. 219, 65–69, 2003. Steimle, T.C., Virgo, W.L. and Brown, J.M. Permanent electric dipole moments and hyperfine interaction in ruthenium monocarbide, RuC. J. Chem. Phys. 118, 2620–2625, 2003. Tamassia, F., Brown, J.M. and Watson, J.K.G. The accurate determination of magnetic hyperfine and Zeeman parameters for 2Π diatomic molecules from experimental data. Molec. Phys. 100, 3485–3492, 2002. Wienkoop, M., Urban, W., Towle, J.P., Brown, J.M. and Evenson, K.M. Studies of the mid- and far-infrared laser magnetic resonance spectra of the CD radical: information on vibrationally excited levels. J. Molec. Spectrosc. 218, 85–94, 2003.

H.M. Cartwright

Cartwright, H.M. Creative Evolutionary Systems: A review. Chem. Educator 7, 319– 321, 2002. Cartwright H.M. and Issott, D. Genetic algorithm evolution of fuzzy production rules for the on-line control of phenol-formaldehyde resin plants, in Soft Computing Approaches in Chemistry, H.M. Cartwright and L.M. Sztandera, eds., Springer- Verlag, Berlin, 2003, 237–264. Cartwright, H.M. and Porter, A. Real-time monitoring of environmental pollutants in the workplace using neural networks and FTIR spectroscopy, in Soft Computing Approaches in Chemistry, H.M. Cartwright and L.M. Sztandera, eds., Springer- Verlag, Berlin, 2003, pp.205–236. Patel, K. and Cartwright, H.M. Clustering of large data sets in the life sciences, in Soft Computing Approaches in Chemistry, H.M. Cartwright and L.M. Sztandera, eds., Springer-Verlag, Berlin, 2003, pp.31–50. Edited Volume Cartwright, H.M. and Sztandera, L.M., eds. Soft Computing Approaches in Chemistry, Springer-Verlag, Berlin, 2003. -5-

M.S. Child

Early perspectives on geometric phase, in The Role of Degenerate States in Chemistry, Vol.124 in Advances in Chemical Physics, eds. M. Baer and G.D. Billing. John Wiley & Sons, Inc., 2002, pp.1–38. Child, M.S. Classical Aspects of Raman excited rotational revivals. Molec. Phys. 101, 637–644, 2003. Child, M.S. and Shalashilin, D.V. Locally coupled coherent states and Herman-Kluk dynamics. J. Chem. Phys. 118, 2061–2071, 2003. Kiyoshima, T., Sato, S., Pazyuk, E.A., Stolyarov, A.V. and Child, M.S. Lifetime measurements and quantum-defect theory treatment of the k 3Πu state of hydrogen molecule. J. Chem. Phys. 118, 121–129, 2003. Shalashilin, and Child, M.S. Nine-dimensional quantum molecular dynamics simulation of intramolecular vibrational energy redistribution in the CHD3 molecule with the help of coupled coherent states. J. Chem. Phys. 119, 1961– 1969, 2003.

D.C. Clary

Althorpe, S.C. and Clary, D.C. Quantum scattering calculations on chemical reactions. Annu. Rev. Phys. Chem. 54, 493–529, 2003. Costa, L.S. and Clary, D.C. Calculation of the energy levels of weakly bound molecular trimers: application to (H2)3. J. Chem. Phys. 117, 7512–7519, 2002. Meijer, A.J.H.M., Farebrother, A.J. and Clary, D.C. Isotope effects in the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism. J. Phys. Chem. A 106, 8996–9008, 2002. Miller III, T.F. and Clary, D.C. Torsional path integral Monte Carlo method for calculating the absolute quantum free energy of large molecules. J. Chem. Phys. 119, 68–76, 2003.

Palma, J., Echave, J. and Clary, D.C. Rate constants for the CH4 + H 6 CH3 + H2 reaction calculated with a generalized reduced-dimensionality method. J. Phys. Chem. A 106, 8256–8260, 2002. Palma, J., Echave, J. and Clary, D.C. The effect of the symmetric and asymmetric 3 stretching vibrations on the CH3D + O( P) 6 CH3 + OD reaction. Chem. Phys. Letts. 363, 529–533, 2002. Pogrebnya, S.K. and Clary, D.C. A full-dimensional quantum dynamical study of vibrational relaxation in H2 + H2. Chem. Phys. Letts. 363, 523–528, 2002.

Pogrebnya, S.K., Mandy, M.E. and Clary, D.C. Vibrational relaxation in H2 + H2: full-dimensional quantum dynamical study. Inter. J. Mass Spectrom. 223–224, 335–342, 2003.

B.A. Coles and R.G. Compton

Higgins, S.R., Boram, L.H., Eggleston, C.M., Coles, B.A., Compton, R.G. and Knauss, K.G. Dissolution kinetics, step and surface morphology of magnesite -6-

(104) surfaces in acidic aqueous solution at 60EC by atomic force microscopy under defined hydrodynamic conditions. J. Phys. Chem. B 106, 6696–6705, 2002. Melville, J.L., Coles, B.A., Compton, R.G., Simjee, N., Macpherson, J.V. and Unwin, P.R. Hydrodynamics and mass transport in wall tube and microjet electrodes. Simulation and experiment for micrometer-scale electrodes. J. Phys. Chem. B 107, 379–386, 2003. Melville, J.L., Simjee, N., Unwin, P.R., Coles, B.A. and Compton, R.G. J. Phys. Chem. B 106, 10424–10431, 2002. Rees, N.V., Klymenko, O.V., Coles, B.A. and Compton, R.G. The high speed channel electrode applied to heterogeneous kinetics: the oxidation of 1,4- phenylenediamines and related species in acetonitrile. J. Electroanal. Chem. 534, 151–161, 2002. Rees, N.V., Klymenko, O.V., Maisonhaute, E., Coles, B.A. and Compton, R.G. The application of fast scan cyclic voltammetry to the high speed channel electrode. J. Electroanal. Chem. 542, 23–32, 2003. Tsai, Y.-C., Coles, B.A., Compton, R.G. and Marken, F. Microwave activation of electrochemical processes: enhanced electrodehalogenation in organic solvent media. J. Am. Chem. Soc. 124, 9784–9788, 2002.

R.G. Compton

Banks, C.E. and Compton, R.G. Voltammetric exploration and applications of ultrasonic cavitation. ChemPhysChem 4, 169–178, 2003. Banks, C.E. and Compton, R.G. Sonoelectroanalysis: a review. Chem. Anal. (Warsaw) 48, 159–180, 2003. Banks, C.E. and Compton, R.G. Ultrasonically enhanced voltammetric analysis and applications: an overview. Electroanalysis 15, 329–346, 2003. Banks, C.E., Lawrence, N.S. and Compton, R.G. Sonovoltammetric elucidation of electron transfer rates: the oxidation of dimethyl-p-phenylenediamine in aqueous solution. Electroanalysis 15, 243–248, 2003. Banks, C.E., Rees, N.V. and Compton, R.G. Sonoelectrochemistry in acoustically emulsified media. J. Electroanal. Chem. 535, 41–47, 2002. Beckett, E.L., Lawrence, N.S., Davis, J. and Compton, R.G. Nitration: a selective electrochemical label for the determination of activated aromatics. Analytical Letts. 35, 339–353, 2002. Brookes, B.A., Davies, T.J., Fisher, A.C., Evans, R.G., Wilkins, S.J., Yunus, K., Wadhawan, J.D. and Compton, R.G. Computational and experimental study of the cyclic voltammetry response of partially blocked electrodes. Part 1. Nonoverlapping, uniformly distributed blocking systems. J. Phys. Chem. B 197, 1616–1627, 2003. Compton, R.G, Hardcastle, J.L. and del Campo, J. Sonoelectrochemistry: physical aspects, in Encyclopedia of Electrochemistry, Vol.3, Instrumentation and Electroanalytical Chemistry, ed. P.R. Unwin, Wiley-VCH Verlag GmbH, Weinheim, 2003, pp.290–311. -7-

Compton, R.G., Hardcastle, J.L. and del Campo, J. Sonoelectroanalysis: applications, in Encyclopedia of Electrochemistry, Vol.3, Instrumentation and Electroanalytical Chemistry, ed. P.R. Unwin, Wiley-VCH Verlag GmbH, Weinheim, 2003, pp.312–327. Compton, R.G., Hardcastle, J.L., del Campo, J. and Wadhawan, J.D. Ultrasound and electrosynthesis, in Encyclopedia of Electrochemistry, Vol.3, Instrumentation and Electroanalytical Chemistry, ed. P.R. Unwin, Wiley-VCH Verlag GmbH, Weinheim, 2003, pp.328–349. Davies, T.J., Banks, C.E., Nuthakki, B., Rusling, J.F., France, R.R., Wadhawan, J.D. and Compton, R.G. Surfactant-free emulsion electrosynthesis via power ultrasound: electrocatalytic formation of carbon–carbon bonds. Green Chemistry 4, 570–577, 2002. Davies, T.J., Brookes, B.A., Fisher, A.C., Yunus, K., Wilkins, S.J., Greene, P.R., Wadhawan, J.D. and Compton, R.G. A computational and experimental study of the cyclic voltammetry response of partially blocked electrodes. Part II: Randomly distributed and overlapping blocking systems. J. Phys. Chem. B 107, 6431–6444, 2003. Davies, T.J., Wadhawan, J.D. and Compton, R.G. Photoelectrochemical dechlorination of phenols. Photochem. Photobiol. Sci. 1, 902–906, 2002. Floate, S., Hardcastle, J.L., Cordemans, E. and Compton, R.G. A sonotrode for electroanalysis: the determination of copper in passivating media. 127, 1094–1099, 2002. Giovanelli, D., Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. Electrochemical determination of sulphide at nickel electrodes in alkaline media: a new electrochemical sensor. Sensors and Actuators B 88, 320–328, 2003. Giovanelli, D., Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. Amperometric determination of sulfide at a pre-oxidised nickel electrode in acidic media. Analyst 128, 173–177, 2003. Hardcastle, J.L., West, C.E. and Compton, R.G. The membrane free sonoelectroanalytical determination of trace levels of lead and cadmium in human saliva. Analyst 127, 1495–1501, 2002. Hyde, M.E. and Compton, R.G. How ultrasound influences the electrodeposition of metals. J. Electroanal. Chem. 531, 19–24, 2002. Hyde, M.E. and Compton, R.G. A review of the analysis of multiple nucleation with diffusion controlled growth. J. Electroanal. Chem. 549, 1–12, 2003. Hyde, M.E., Jacobs, R. and Compton, R.G. In situ AFM studies of metal deposition. J. Phys. Chem. B 106, 11075–11080, 2002. Hyde, M.E., Klymenko, O.V. and Compton, R.G. The theory of electrodeposition in the presence of forced convection: transport controlled nucleation of hemispheres. J. Electroanal. Chem. 534, 13–17, 2002. Klymenko, O.V., Gavaghan, D.J., Harriman, K.E. and Compton, R.G. Finite element simulation of electrochemically reversible, quasi-reversible and irreversible linear sweep voltammetry at the wall tube electrode. J. Electroanal. Chem. 531, 25–31, 2002. -8-

Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. Voltammetric characterization of a N,NN-diphenyl-p-phenylenediamine-loaded screen-printed electrode: a disposable sensor for hydrogen sulfide. Analytical Chem. 75, 2054–2059, 2003. Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. A thin-layer amperometric sensor for hydrogen sulfide: the use of microelectrodes to achieve a membrane-independent response for Clark-type sensors. Analytical Chem. 75, 2499–2503, 2003. Maisonhaute, E., Del Campo, F.J. and Compton, R.G. Microelectrode study of single cavitational bubbles induced by 500 kHz ultrasound. Ultrasonics Sonochemistry 9, 275–283, 2002. Maisonhaute, E., Prado, C., White, P.C. and Compton, R.G. Surface acoustic cavitation understood via nanosecond electrochemistry. Part III: Shear stress in ultrasonic cleaning. Ultrasonics Sonochemistry 9, 297–303, 2002. Moorcroft, M.J., Hahn, C.E.W. and Compton, R.G. Electrochemical studies of the anaesthetic agent enflurane (2-chloro-1,1,2-trifluoroethyl difluoromethyl ether) in the presence of oxygen: reaction with electrogenerated superoxide. J. Electroanal. Chem. 541, 117–131, 2003. Moorcroft, M.J., Prado, C., Compton, R.G., McPeak, H.B. and Hahn, C.E.W. Electrochemical reduction of the anaesthetic gas enflurane (2-chloro-1,1,2- trifluoroethyl difluoromethyl ether). J. Electroanal. Chem. 528, 127–134, 2002. Nekrassova, O., Allen, G.D., Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. The oxidation of cysteine by aqueous ferricyanide: a kinetic study using boron doped diamond electrode voltammetry. Electroanalysis 14, 1464–1469, 2002. Nekrassova, O., Lawrence, N.S., Lee, R.B., Urban, J.P.G. and Compton, R.G. Electroanalytical adaptation of the classical Ellman’s Assay: determination of total thiols in incubation media from a biological sample (excised articular cartilage). Indian J. Chem. 42A, 739–743, 2003. Pandurangappa, M., Lawrence, N.S. and Compton, R.G. Homogeneous chemical derivatisation of carbon particles: a novel method for functionalising carbon surfaces. Analyst 127, 1568–1571, 2002. Pandurangappa, M., Lawrence, N.S., Jiang, L. Jones, T.G.J. and Compton, R.G. Physical adsorption of N,NN-diphenyl-p-phenylenediamine onto carbon particles: application to the detection of sulfide. Analyst 128, 473–479, 2003. Prado, C., Wilkins, S.J., Marken, F. and Compton, R.G. Simultaneous electrochemical detection and determination of lead and copper at boron-doped diamond film electrodes. Electroanalysis 14, 262–272, 2002. Rees, N.V., Klymenko, O.V., Compton, R.G. and Oyama, M. The electro-oxidation of N,N-dimethyl-p-toluidine in acetonitrile: a microdisk voltammetry study. J. Electroanal. Chem. 531, 33–42, 2002. Schroeder, U., Wadhawan, J., Evans, R.G., Compton, R.G., Wood, B., Walton, D.J., France, R.R., Marken, F., Page, P.C.B. and Hayman, C.M. J. Phys. Chem. B 106, 8697–8704, 2002. Seymour, E.H., Lawrence, N.S. and Compton, R.G. Reaction with N,N-diethyl-p- phenylenediamine: a procedure for the sensitive square-wave voltammetric detection of chlorine. Electroanalysis 15, 689–694, 2003. -9-

Seymour, E.H., Lawrence, N.S., Pandurangappa, M. and Compton, R.G. Mikrochimica Acta 140, 211–217, 2002. Seymour, E.H., Wilkins, S.J., Lawrence, N.S. and Compton, R.G. Electrochemical detection of glutathione: an electrochemically initiated reaction pathway. Analytical letts. 35, 1387–1399, 2002. Svir, I.B., Oleinick, A.I. and Compton, R.G. Solution of ring electrode problems in spherical coordinates: an application to near-steady-state linear sweep voltammetry. Russian J. Electrochem. 39, 160–163, 2003. Thompson, M., Lawrence, N.S., Davis, J., Jiang, L., Jones, T.G.J. and Compton, R.G. A reagentless renewable N,NN-diphenyl-p-phenylenediamine loaded sensor for hydrogen sulfide. Sensors and Actuators B 87, 33–40, 2002. Thompson, M., Wilkins, S.J., Compton, R.G. and Viles, H.A. Polymer coatings to passivate calcite from acid attack: polyacrylic acid and polyacrylonitrile. J. Colloid Interface Sci. 260, 204–210, 2003. Thompson, M., Wilkins, S.J., Compton, R.G. and Viles, H.A. Channel flow cell studies on the evaluation of surface pretreatments using phosphoric acid or polymaleic acid for calcite stone protection. J. Colloid Interface Sci. 259, 338– 345, 2003. Wadhawan, J.D. and Compton, R.G. EPR spectroscopy in electrochemistry, in Encyclopedia of Electrochemistry, Vol.2, Interfacial Kinetics and Mass Transport, ed. E.J. Calvo, Wiley-VCH Verlag GmbH, Weinheim, 2003, pp.170– 220. Wadhawan, J.D., Davies, T.J., Clegg, A.D., Lawrence, N.S., Ball, J.C., Klymenko, O.V., Rees, N.V., Bethell, D., Woolfall, M.P., France, R.R. and Compton, R.G. Photoelectrochemistry of bromonitrobenzenes: mechanism and photoelectrochemically-induced halex reactions. J. Electroanal. Chem. 533, 33– 70, 2002. Wadhawan, J.D., Evans, R.G., Banks, C.E., Wilkins, S.J., France, R.R., Oldham, N.J., Fairbanks, A.J., Wood, B., Walton, D.J., Schroeder, U. and Compton, R.G. Voltammetry of electroactive oil droplets: electrochemically-induced ion insertion, expulsion and reaction processes at microdroplets of N,N,NN,NN- tetraalkyl-para-phenylenediamines (TRPD, R = n-butyl, n-hexyl, n-heptyl and n- nonyl). J. Phys. Chem. B 106, 9619–9632, 2002. Wadhawan, J.D., Evans, R.G. and Compton, R.G. Voltammetric characteristics of graphite electrodes modified with microdroplets of n-butylferrocene. J. Electroanal. Chem. 533, 71–84, 2002. Wadhawan, J.D., Welford, P.J., McPeak, H.B., Hahn, C.E.W. and Compton, R.G. The simultaneous voltammetric determination and detection of oxygen and carbon dioxide. A study of the kinetics of the reaction between superoxide and carbon dioxide in non-aqueous media using membrane-free gold disc microelectrodes. Sensors and Actuators B 88, 40–52, 2003. Wain, A.J., Lawrence, N.S., Greene, P.R., Wadhawan, J.D. and Compton, R.G. Reactive chemistry via the redox switching of microdroplets of 4-nitrophenyl nonyl ether in the presence of aqueous electrolytes. Phys. Chem. Chem. Phys. 5, 1867–1875, 2003. West, C.E., Hardcastle, J.L. and Compton, R.G. Sono-electroanalytical determination of lead in saliva. Electroanalysis 14, 1470–1478, 2002. -10-

Wildgoose, G.G., Pandurangappa, M., Lawrence, N.S., Jiang, L., Jones, T.G.J. and Compton, R.G. Anthraquinone-derivatised carbon powder: reagentless voltammetric pH electrodes. Talanta 60, 887–893, 2003.

R.G. Compton and J.S. Foord

Foord, J.S., Chatterjee, A., Holt, K.B., Compton, R.G. and Marken, F. Electrochemical interactions of Group IB metals at chemical vapour deposited boron-doped diamond surfaces, in Proceedings – , Vol. 2001–25 (Diamond Materials VII), 2002, pp.74–84. Hian, L.C., Grehan, K.J., Compton, R.G., Foord, J.S. and Marken, F. Influence of thin film properties on the electrochemical performance of diamond electrodes. Diamond Rel. Mat. 12, 590–595, 2003. Hian, L.C., Grehan, K.J., Compton, R.G., Foord, J.S. and Marken, F. Nanodiamond thin films on titanium substrates. J. Electrochem. Soc. 150, E59–E65, 2003. Hian, L.C., Grehan, K.J., Goeting, C.H., Compton, R.G., Foord, J.S. and Marken, F. Nanodiamond thin film electrodes: metal electro-deposition and stripping processes. Electroanalysis 15, 169–174, 2003. Holt, K.B., Forryan, C., Compton, R.G., Foord, J.S. and Marken, F. Anodic activity of boron-doped diamond electrodes in bleaching processes: effects of ultrasound and surface states. New J. Chem. 27, 698–703, 2003. Prado, C., Murcott, G.G., Marken, F., Foord, J.S. and Compton, R.G. Detection of chlorophenols in aqueous solution via hydrodynamic channel flow cell voltammetry using a boron-doped diamond electrode. Electroanalysis 14, 975– 979, 2002.

J.H.D. Eland

Eland, J.H.D., Ho, S.S.W. and Worthington, H.L. Complete double photoionisation spectrum of NO. Chem. Phys. 290, 27–34, 2003. Eland, J.H.D., Vieuxmaire, O., Kinugawa, T., Lablanquie, P., Hall, R.I. and Penent, F. Complete two-electron spectra in double photoionization: the rare gases Ar, Kr, and Xe. Phys. Rev. Letts. 90, 053003-1–053003-4, 2003. Hikosaka, Y., Ahmad, M., Lablanquie, P., Penent, F., Hall, R.I. and Eland, J.H.D. Inner valence region of CO+ studied by threshold photoelectron-photoion coincidence spectroscopy. J. Electron Spectorsc. Rel. Phenomena 125, 99–106, 2002. Kinugawa, T., Hikosaka, Y., Hodgekins, A.M. and Eland, J.H.D. New results on the dissociative photoionization of CF4 and CCl4. J. Mass Spectrom. 37, 854–857, 2002. Kinugawa, T., Hodgekins, A.M. and Eland, J.H.D. Dissociative photoionisation of hexafluorobenzene. Chem. Phys. 286, 139–147, 2003. Kinugawa, T., Hodgekins, A.M. and Eland, J.H.D. A curious regularity in the dissociative photoionization of fluorinated benzenes: why do C6F6+ and C6H6+ dissociate so differently? Chem. Phys. Letts. 368, 276–281, 2003.

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J.S. Foord

Hiramatsu, M., Ito, K., Lau, C.H., Foord, J.S. and Hori, M. Fabrication of vertically aligned carbon nanostructures by microwave plasma-enhanced chemical vapor deposition. Diamond Rel. Mat. 12, 786–789, 2003.

Hiramatsu, M., Kato, K., Lau, C.H., Foord, J.S. and Hori, M. Measurement of C2 radical density in mixrowave methane/hydrogen plasma used for nanocrystalline diamond film formation. Diamond Rel. Mat. 12, 365–368, 2003. Riedel, D., Perdigno, L.M.A., Hernández-Pozos, J.L., Guo, Q., Palmer, R.E., Foord, J.S. and Kolasinski, K.W. Surface photochemistry induced by ultrafast pulses of vacuum ultraviolet light: physisorbed oxygen on graphite. Phys. Rev. B 66, 233405-1–233405-4, 2002. Wang, J., Howard, A., Egdell, R.G., Pethica, J.B. and Foord, J.S. Arrangement of rotational domains of the (/31 × /31) R ± 9E reconstruction of Al2O3(0001) revealed by non-contact AFM. Surf. Sci. 515, 337–343, 2002. Wang, J., Mitchell, C.E.J., Egdell, R.G. and Foord, J.S. Ultrathin oxide films on SiO2. An STM study of their thermal stability in the presence of Au deposit. Chem. Res. in Chinese Universities 18, 124–129, 2002. Williams, O.A., Jackman, R.B., Nebel, C. and Foord, J.S. High carrier mobilities in black diamond. Semicond. Sci. Technol. 18, S77–S80, 2003.

G.H. Grant

De Rienzo, F., Grant, G.H. and Menziani, M.C. Theoretical descriptors for the quantitative rationalisation of plastocyanin mutant functional properties. J. Computer-Aided Molec. Des. 16, 501–509, 2002. Hodgson, D.M., Glen, R., Grant, G.H. and Redgrave, A.J. Catalytic enantioselective [3 + 2]-cycloadditions of diazoketone-derived aryl-substituted carbonyl ylides. J. Organic Chem. 68, 581–586, 2003. Loferer, M.J., Webb, B.M., Grant, G.H. and Liedl, K.R. Energetic and stereochemical effects of the protein environment on substrate: a theoretical study of methylmalonyl-CoA mutase. J. Am. Chem. Soc. 125, 1072–1078, 2003.

G.H. Grant and W.G. Richards

Allen, B.C.P., Grant, G.H. and Richards, W.G. Calculation of protein domain structural similarity using two-dimensional representations. J. Chem. Inf. Comput. Sci. 43, 134–143, 2003. Glick, M., Grant, G.H. and Richards, W.G. Docking of flexible molecules using multiscale ligand representations. J. Med. Chem. 45, 4639–4646, 2002.

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P.J. Grout

Grout, P.J. Group theory, in Handbook of Molecular Physics and Quantum Chemistry, ed. S. Wilson. John Wiley and Sons Ltd., 2003, Vol.1, Chap.22, pp.315–368.

G. Hancock

Bakowski, B., Corner, L., Hancock, G., Kotchie, R., Peverall, R. and Ritchie, G.A.D. Cavity-enhanced absorption spectroscopy with a rapidly swept diode laser. Appl. Phys. B 75, 745–750, 2002. Barry, H.R., Corner, L., Hancock, G., Peverall, R., Ranson, T.L. and Ritchie, G.A.D. Measurements of pressure broadening coefficients of selected transitions in the 2ν5 band of formaldehyde. Phys. Chem. Chem. Phys. 5, 3106–3112, 2003. Corner, L., Barry, H.R. and Hancock, G. Comparison of cross-section measurements of the 2ν5 overtone band of formaldehyde determined by cavity ringdown and cavity enhanced spectroscopy. Chem. Phys. Letts. 374, 28–32, 2003. Gibb, J.S., Hancock, G., Hutchinson, A., Peverall, R. and Ritchie, G.A.D. On the accurate determination of pressure-induced line shifts in the 2ν3 band of H2O at 1320 nm. Appl. Phys. B 76, 97–105, 2003. Hancock, G. and Haverd, V. A time-resolved FTIR emission study of the gas phase 3 1 removal processes of CH2(X B1) and CH2(a A1) in collisions with O2. Chem. Phys. Letts. 372, 288–294, 2003. Hancock, G. and Haverd, V. Time resolved FTIR emission measurements of the 1 internal energies of NO formed in the O( D) + N2O reaction, and energy transfer processes to N2O. Phys. Chem. Chem. Phys. 5, 2369–2375, 2003. Hancock, G., Haverd, V. and Morrison, M. Infrared emission accompanying the gas phase recombination of alkyl radicals. Phys. Chem. Chem. Phys. 5, 2981–2987, 2003. Morrell, C., Breheny, C., Haverd, V., Cawley, A. and Hancock, G. The 248 nm photolysis of No2/N2O4: time-resolved Fourier transform infrared emission from NO and NO2, and quenching of NO (v=5–8). J. Chem. Phys. 117, 11121– 11130, 2002. Wallington, T.J., Hurley, M.D., Fedotov, V., Morrell, C. and Hancock, G. Atmospheric chemistry of CF3CH2OCHF2 and CF3CHClOCHF2: kinetics and mechanisms of reaction with Cl atoms and OH radicals and atmospheric fate of CF3C(OC)HOCHF2 and CF3C(OC)ClOCHF2 radicals. J. Phys. Chem. A 106, 8391–8398, 2002.

P.J. Hore

Barbieri, R., Hore, P.J., Luchinat, C. and Pierattelli, R. An NMR method for studying the kinetics of metal exchange in biomolecular systems. J. Biomolec. NMR 23, 303–309, 2002. Canet, D., Lyon, C.E., Scheek, R.M., Robillard, G.T., Dobson, C.M., Hore, P.J. and van Nuland, N.A. Rapid formation of non-native contacts during the folding of -13-

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B.J. Howard

King, A.K. and Howard, B.J. A high-resolution mocrowave study of the butan-2-ol argon complex. J. Molec. Spectrosc. 214, 97–102, 2002.

J. Klein

Kerle, T., Klein, J. and Yerushalmi-Rozen, R. Accelerated rupture at the liquid/liquid interface. Langmuir 18, 10146–10154, 2002. Raviv, U., Giasson, S., Frey, J. and Klein, J. Viscosity of ultra-thin water films confined between hydrophobic or hydrophilic surfaces. J. Phys.: Condens. Matter 14, 9275–9283, 2002. Raviv, U., Kampf, N. and Klein, J. The implication of ‘jump-in’ for the shear viscosity of ultra thin liquid films, in Dynamics and Friction at Sub-micron Confining Systems, eds. Y. Braiman, M. Drake, F. Family, J. Klafter, ACS Books, Washington, 2003. Raviv, U. and Klein, J. Fluidity of bound hydration layers. Science 297, 1540–1543, 2002. Raviv, U., Klein, J. and Witten, T.A. The polymer mat: Arrested rebound of a compressed polymer layer. Eur. Phys. J. E 9, 405–412, 2002. Raviv, R., Klein, J. and Witten, T.A. The polymer mat: Response. Eur. Phys. J. E 9, 425–426, 2002.

D.E. Logan

Glossop, M.T. and Logan, D.E. Spectral scaling and quantum critical behaviour in the pseudogap Anderson Model. Europhysics Letters 61, 810–816, 2003. Smith, V.E., Logan, D.E. and Krishnamurthy, H.R. Kondo insulators in the periodic Anderson model: a local moment approach. Eur. Phys. J. B 32, 49–63, 2003. Vidhyadhiraja, N.S., Smith, V.E., Logan, D.E. and Krishnamurthy, H.R. Dynamics and transport properties of Kondo insulators. J. Phys.: Condens. Matter 15, 4045–4087, 2003.

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P.A. Madden

Aguado, A., Bernasconi, L., Jahn, S. and Madden, P.A. Multipoles and interaction potentials in ionic materials from planewave-DFT calculations. Faraday Discuss. 124, 171–184, 2003. Aguado, A., Bernasconi, L. and Madden, P.A. Interionic potentials from ab initio molecular dynamics: the alkaline earth oxides CaO, SrO, and BaO. J. Chem. Phys. 118, 5704–5717, 2003. Aguado, A. and Madden, P.A. Molecular dynamics simulations of the liquid–vapor interface of a molten salt. III. Size asymmetry effects and binary mixtures. J. Chem. Phys. 117, 7659–7668, 2002. Aguado, A. and Madden, P.A. Oxide potentials from ab initio molecular dynamics: an assessment of their transferability. J. Chem. Phys. 118, 5718–5728, 2003. Bernasconi, L. and Madden, P.A. A theoretical study of the electronic and optical properties of the graphite intercalation compound K(NH3)4C24. J. Phys. Chem. B 106, 12916–12928, 2002. Calandra, P., Domene, C., Fowler, P.W. and Madden, P.A. Nuclear quadrupole coupling of 17O and 33S in ionic solids: invalidation of the Sternheimer model by short-range corrections. J. Phys. Chem. B 106, 10342–10348, 2002. Chaudhuir, S., Castiglione, M., Wang, F., Wilson, M., Madden, P.A. and Grey, C.P. Study of fluoride ion motions in PbSnF4 and BaSnF4 with MD simulation and solid-state NMR. J. Mat. Res. 658, CG10.9, 2001. Domene, C., Fowler, P.W., Wilson, M. and Madden, P.A. A transferable representation of the induced multipoles in ionic crystals. Molec. Phys. 100, 3847–3865, 2002. Gray-Weale, A. and Madden, P.A. Theoretical calculation of the structure of a polarizable-ionic fluid. Molec. Phys. 101, 1761–1779, 2003.

D.E. Manolopoulos

Manolopoulos, D.E. A delayed reaction. Nature 419, 266–267, 2002. Manolopoulos, D.E. Derivation and reflection properties of a transmission-free absorbing potential. J. Chem. Phys. 117, 9552–9559, 2002.

W.G. Richards

Davies, E.K., Glick, M., Harrison, K.N. and Richards, W.G. Pattern recognition and massively distributed computing. J. Comput. Chem. 23, 1544–1550, 2002. Topf, M., Várnai, P. and Richards, W.G. Ab initio QM/MM dynamics simulation of the tetrahedral intermediate of serine proteases: insights into the active site hydrogen-bonding network. J. Am. Chem. Soc. 124, 14780–14788, 2002.

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J.S. Rowlinson

Rowlinson, J.S. Cohesion: A Scientific History of Intermolecular Forces, Cambridge University Press, 2002. Rowlinson, J.S. Le Sage’s Essai de Chymie Méchanique. Notes Rec. R. Soc. Lond. 57, 35–45, 2003. Rowlinson, J.S. The work of Thomas Andrews and James Thomson on the liquefaction of gases. Notes Rec. R. Soc. Lond. 57, 143–159, 2003.

F. Schreiber

Dürr, A.C., Schreiber, F., Kelsch, M., Carstanjen, H.D., Dosch, H. and Seeck, O.H. Morphology and interdiffusion behavior of evaporated metal films on crystalline diindenoperylene thin films. J. Appl. Phys. 93, 5201–5209, 2003. Dürr, A.C., Schreiber, F., Münch, M., Karl, N., Krause, B., Kruppa, V. and Dosch, H. High structural order in thin films of the organic semiconductor diindenoperylene. Appl. Phys. Letts. 81, 2276–2278, 2202. Dürr, A.C., Schreiber, F., Ritley, K.A., Kruppa, V., Krug, J., Dosch, H. and Struth, B. Rapid roughening in thin film growth of an organic semiconductor (diindenoperylene). Phys. Rev. Letts. 90, 016104-1–001104-4, 2003. Krause, B., Dürr, A.C., Ritley, K., Schreiber, F., Dosch, H. and Smilgies, D. Structure and growth morphology of an archetypal system for organic epitaxy: PTCDA on Ag(111). Phys. Rev. B 66, 235404-1–235404-11, 2002. Krause, B., Dürr, A.C., Schreiber, F. and Dosch, H. Thermal stability and partial dewetting of crystalline organic thin films: 3,4,9,10-perylenetetracarboxylic dianhydride on Ag(111). J. Chem. Phys. 119, 3429–3435, 2003. Schwendel, D., Hayashi, T., Dahint, R., Pertsin, A., Grunze, M., Steitz, R. and Schreiber, F. Interaction of water with self-assembled monolayers: neutron reflectivity measurements of the water density in the interface region. Langmuir 19, 2284–2293, 2003.

J.P. Simons

Jockusch, R.A., Talbot, F.O. and Simons, J.P. Sugars in the gas phase. Part 2: the spectroscopy and structure of jet-cooled phenyl β-D-galactopyranoside. Phys. Chem. Chem. Phys. 5, 1502–1507, 2003. Macleod, N.A., Robertson, E.G. and Simons, J.P. Hydration of neurotransmitters: a computational and spectroscopic study of a noradrenaline analogue, 2-amino-1- phenyl-ethanol. Molec. Phys. 101, 2199–2210, 2003. Macleod, N.A. and Simons, J.P. Conformation, structure and molecular solvation: a spectroscopic and computational study of 2-phenoxy ethanol and its singly and multiply hydrated clusters. Chem. Phys. 283, 221–236, 2002. Macleod, N.A. and Simons, J.P. Protonated neurotransmitters in the gas-phase: clusters of 2-aminoethanol with phenol. Phys. Chem. Chem. Phys. 5, 1123– 1129, 2003. -16-

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J.P. Simons and L.C. Snoek

Snoek, L.C., Macleod, N.A., Talbot, F.O., Butz, P., Simons, J.P. and Kroemer, R.T. Towards an understanding of multiply hydrated tryptophan clusters in the gas phase. Central Laser Facility, Rutherford Appleton Laboratory Annual Report 2001/2002, pp.117–118. Snoek, L.C., van Mourik, T. and Simons, J.P. Neurotransmitters in the gas phase: a computational and spectroscopic study of noradrenaline. Molec. Phys. 101, 1239–1248, 2003. Talbot, F.O., Snoek, L.C., Macleod, N.A., Butz, P., Simons, J.P. and Kroemer, R.T. Infrared ion dip and ultraviolet spectroscopy of 4-phenyl imidazole, its tautomer, 5-phenyl imidazole, and its multiply hydrated clusters. Central Laser Facility, Rutherford Appleton Laboratory Annual Report 2001/2002, pp.115– 116.

T.P. Softley

Procter, S.R., Yamakita, Y., Merkt, F. and Softley, T.P. Controlling the motion of hydrogen molecules. Chem. Phys. Letts. 374, 667–675, 2003. Seiler, R., Hollenstein, U., Softley, T.P. and Merkt, F. High-resolution threshold- ionization spectroscopy of NH3. J. Chem. Phys. 118, 10024–10033, 2003. Smith, R.A.L., Stavros, V.G., Verlet, J.R.R., Fielding, H.H., Townsend, D. and Softley, T.P. The role of phase in molecular Rydberg wave packet dynamics. J. Chem. Phys. 119, 3085–3091, 2003.

R.K. Thomas

Clarke, S.M., Messe, L., Adams, J., Inaba, A., Arnold, T. and Thomas, R.K. A quantitative parameter for predicting mixing behaviour in adsorbed layers: the 2D isomorphism coefficient. Chem. Phys. Letts. 373, 480–485, 2003. Li, Z.X., Dong, C.C., Wang, J.B., Thomas, R.K. and Penfold, J. Unusual surface structure in layers of cationic gemini surfactants adsorbed at the air/water interface: a neutron reflection study. Langmuir 18, 6614–6622, 2002. Messe, L., Clarke, S.M., Dong, C., Thomas, R.K., Inaba, A., Alba, M.D. and Castro, M.A. Mixing behavior at the solid/liquid interface: binary alcohol monolayers on graphite. Langmuir18, 9429–9433, 2002. -17-

Mitchell, W.J., Burn, P.L., Thomas, R.K. and Fragneto, G. Probing the polymer- electrode interface using neutron reflection. Appl. Phys. Letts. 82, 2724–2726, 2003. Penfold, J., Staples, E., Tucker, I., Thomas, R.K., Woodling, R. and Dong, C.C. The structure of mixed nonionic surfactant monolayers at the air-water interface: the effects of different alkyl chain lengths. J. Coll. Interface Sci. 262, 235–242, 2003. Taylor, D.J.F., Thomas, R.K., Hines, J.D., Humphreys, K. and Penfold, J. The adsorption of oppositely charged polyelectrolyte/surfactant mixtures at the air/water interface: neutron reflection from dodecyl trimethylammonium bromide/sodium poly(styrene sulfonate) and sodium dodecyl sulfate/poly(vinyl pyridinium chloride). Langmuir 18, 9783–9791, 2002. Taylor, D.J.F., Thomas, R.K., Li, P.X. and Penfold, J. Adsorption of oppositely charged polyelectrolyte/surfactant mixtures. Neutron reflection from alkyl trimethylammonium bromides and sodium poly(styrenesulfonate) at the air/water interface: the effect of surfactant chain length. Langmuir 19, 3712– 3719, 2003. Vieira, J.B., Li, Z.X., Thomas, R.K. and Penfold, J. Structure of triblock copolymers of ethylene oxide and propylene oxide at the air/water interface determined by neutron reflection. J. Phys. Chem. B 106, 10641–10648, 2002. Williams-Daryn, S. and Thomas, R.K. The intercalation of a vermiculite by cationic surfactants and its subsequent swelling with organic solvents. J. Coll. Interface Sci. 255, 303–311, 2002. Williams-Daryn, S., Thomas, R.K., Castro, M.A. and Becerro, A. The structures of complexes of a vermiculite intercalated by cationic surfactants, a mixture of cationic surfactants, and a mixture of cationic and nonionic surfactants. J. Coll. Interface Sci. 256, 314–324, 2002.

C. Vallance

Hudson, J.E., Hamilton, M.L., Vallance, C. and Harland, P.W. Absolute electron impact ionization cross-sections for the C1 to C4 alcohols. Phys. Chem. Chem. Phys. 5, 3162–3168, 2003.

R.P. Wayne

Bale, C.S.E., Canosa-Mas, C.E., Flugge, M.L. and Wayne, R.P. An experimental study of the gas-phase reaction of the NO3 radical with 1,4-pentadiene, Z-1,3- pentadiene and E-1,3-pentadiene. Phys. Chem. Chem. Phys. 4, 5821–5826, 2002. Cotter, E.S., Canosa-Mas, C.E., Manners, C.R., Wayne, R.P. and Shallcross, D.E. Kinetic study of the reactions of OH with the simple alkyl iodides: CH3I, C2H5I, 1-C3H7I and 2-C3H7I. Atmos. Environ. 37, 1125–1133, 2003. Kasyutich, V.L., Bale, C.S.E., Canosa-Mas, C.E., Pfrang, C., Vaughan, S. and Wayne, R.P. Cavity enhanced absorption: detection of nitrogen dioxide and iodine monoxide using a violet laser diode. Appl. Phys. B 76, 691–697, 2003. -18-

Kasyutich, V.L., Canosa-Mas, C.E., Pfrang, C., Vaughan, S. and Wayne, R.P. Off- axis continuous-wave cavity-enhanced absorption spectroscopy of narrow-band and broadband absorbers using red diode lasers. Appl. Phys. B 75, 755–761, 2002. Schurath, U., Peeters, J., Wayne, R.P., Moortgat, G.K., Grgić, I., George, C., Herrmann, H. and Poppe, D. Chemical mechanism development. Chapter 5 in Towards Cleaner Air for Europe – Science, Tools and Applications; Part 2, eds. P. Midgley and M. Reuther. Margraf, Weikersheim, 2003, pp.73–98. Thompson, K.C., Canosa-Mas, C.E. and Wayne, R.P. Kinetics and mechanism of the reaction between atomic chlorine and dimethyl selenide; comparison with the reaction between atomic chlorine and dimethyl sulphide. Phys. Chem. Chem. Phys. 4, 4133– 4139, 2002. Vipond, A., Canosa-Mas, C.E., Flugge, M.L., Gray, D.J., Shallcross, D.E., Shah, D. and Wayne, R.P. A discharge-flow study of the self-reaction of IO. Phys. Chem. Chem. Phys. 4, 3648–3658, 2002. Wayne, R.P. Chemical kinetics, in Encyclopedia of Atmospheric Sciences, eds. J.R. Bolton, J.A. Pyle and J.A. Curry. Academic Press, New York, 2002, pp.343– 352. Wayne, R.P. Principles of chemical change, in Encyclopedia of Atmospheric Sciences, eds. J.R. Bolton, J.A. Pyle and J.A. Curry. Academic Press, New York, 2002, pp.384–393.