Cumulative Author Index 1994 Afanasiev, P., 193 Aldaz,A., 609 Alfimov, M. V., 109 Al-Ghefaili, K. M., 383 Ali, V., 579, 583 Allegrini, P., 333 Allen, N. S., 83 Aramaki, K., 321 Aravindakumar, C. T., 597 Avila, V., 69 Baba,T., 187 Ball, S. M., 523 Barthomeuf, D., 667,675 Bassoli, M., 363 Bauer, C., 5 17 Bell, A. J., 17 Bendig, J., 287 Bengtsson, L. A., 559 Bensalem, A., 653 Bkrces,T., 411 Bickelhaupt, F., 327 Biczok, L., 41 1 Boggis, S. A., 17 Borisenko, V. N., 109 Bozon-Verduraz, F., 653 Bradley, C. D., 239 Bradshaw, A. M., 403 Breysse, M., 193 Brocklehurst, B., 271 Brown, R. G., 59 Byatt-Smith, J. G., 493 Caceres Alonso, M., 553 Calado, J. C. G., 649 Caldararu, H., 213 Calvente, J. J., 575 Camacho, J.J., 23 Campa, M. C., 207 Campos, A., 339 Caragheorgheopol, A., 2 13 Carvill, B. T., 233 Catalina, F.. 83 Cavasino, F. P., 311 Chen, J-S., 429 Chen, Y-H., 617 Cheng, A., 253 Cherqaoui, D., 97 Chesta, C. A., 69 Chevalier, S., 667, 675 Cho,T., 103 Christensen, P., 459 Climent, M. A., 609 Cordischi, D., 207 Corma,A., 213 Corrales, T., 83 Cosa, J. J., 69 Coudurier, G., 193 Curtis, J. M., 239 Demeter, A., 41 1 Demri, D., 501 Derrick, P. J., 239 Diagne, C., 501 Dickinson, E., 173 Doughty, A., 541 Douglas, C. B., 471 Dwyer, J., 383 Dyke, J. M., 17 Eastoe. J., 487 Joseph, E. M., 387 Joshi, P. N., 387 Nagaoka, H., 349 Navaratnam, S., 83 Shaw,N., 17 Sheil, M. M., 239 Ebitani, K., 377 Elisei, F., 279 Eustaquio-Rincon, R., 113 Fantola Lazzarini, A.L., Favaro, G., 279,333 Feliu, J. M., 609 Filimonov, I. N., 219, 227 Fogden, A., 263 Fornes, V., 213 Franck, R., 667,675 Frey, J. G., 17 Frostemark, F., 559 Gans, P., 315 423 Kagawa, S., 349 Kaler, E. W., 471 Kalugin, 0.N., 297 Katsumura, Y., 93, 591 Kaur, T., 579 Kawashima, T., 127 Keil, M., 403 Kemball, C., 659 Kida, I., 103 Kiennemann, A., 501 Kim, J-H., 377 King, F., 203 Kirschner, J., 403 Klein, M. L., 253 Neoh, K. G., 355 Nerukh, D. A., 297 Nicholson, D., 181 Nickel, U., 617 Ninomiya, J., 103 Nishihara, H., 321 Nonaka, O., 121 Nuiiez Delgado, J., 553 Nyholm, L., 149 Occhiuzzi, M., 207 Ohtsu, K., 127 Oliveri, G., 363 Ono,Y., 187 Oradd, G., 305 Sheppard, N., 507, 513 Shiao, J-C., 429 Shihira, Y., 549 Shiralkar, V.P., 387 Shizuka, H., 533 Silva, C. J., 143 Silva, F., 143 Simkiss, K., 641 Singh, J., 579, 583 Singh, R., 583 Soares, V. A. M., 649 Soria, V., 339 Spiro, M., 617 Sun, L. M., 369 Garcia, R., 339 Garcia Baonza, V., 553 Garcia-Pafieda, E., 575 Geantet, C., 193 Gill, D. S., 579, 583 Gill, J. B., 315 Goede, S. J., 327 Gomez, C. M., 339 GonGalves da Silva, A. M., 649 Kleshchevnikova, V. N., Kondo, Y., 121 Kossanyi, J., 41 1 Kurrat, R., 587 Kuwamoto, T., 121 Lambert, J-F., 667, 675 Langan, J. R., 75 Lazzarini, E., 423 Leaist, D. G., 133 629 Ortica, F., 279 Ota, K-i., 155 Otlejkina, E. G., 297 Otsuka, K., 451 Ottavi, G., 333 Ozutsumi, K., 127 Padley, M. B., 203 Palleschi, A., 435 Paradisi, C., 137 Pardo,A., 23 Suquet, H., 667,675 Surov, Y. N., 297 Suzuki, T., 549 Tabrizchi, M., 17 Takagi, T., 121 Takahashi, K., 155 Tamura, K-i., 533 Tanaka, I., 349 Taylor, M. G., 641 Teo, W.K., 355 Gray, P. G., 369 Green, W. A., 83 Grimshaw, J., 75 Haeberlein, M., 263 Hall, D. I., 517 Hall, G., 1 Hallbrucker, A., 293 Hamnett, A., 459 Hancock, G., 523 Handa,H., 187 Hao, L., 133 Harper, R. J., 659 Harrison, N. J., 55 Heal, M. R., 523 Heenan, R. K., 487 Helmer, M., 31,395 Herein, D., 403 Herzog, B., 403 Higgins, S., 459 Hindermann, J-P., 501 Hirst, D. M., 517 Holmberg, B., 559 Hoshino, H., 479 Hosoi, K., 349 Hutchings, G. J., 203 Hutton, R. S., 345 Ikawa, S-i., 103 Ikonnikov, I. A., 219 Indovina, V., 207 Ishigure, K., 93,591 Ito,O., 571 Iwasaki, K., 121 Jameel, A. T., 625 Jayakumar, R., 161 Jenneskens, L. W., 327 Jennings, B. J., 55 Jiang, P-Y., 591 Jiang, P.Y., 93 Johansson, L. B.-A., 305 Lei,G-D., 233 Lerner, B. A., 233 Leslie, M., 641 Li, J., 39 Li, P., 605 Lin, J., 355 Lindblom, G., 305 Liu,C-W., 39 Liu, X., 249 Loginov, A. Yu., 219,227 Longdon, P. J., 315 Lunelli, B., 137 Mackie, J. C., 541 Maestre, A., 575 Mahy, J. W. G., 327 Makarova, M. A,, 383 Malatesta, V., 333 Malcolm, B. R., 493 Mallon, D., 83 Mandal, A. B., 161 Mariani, M., 423 Martins, A., 143 Masetti, F., 333 Massucci, M., 445 MatijeviC, E., 167 Matsuda, J., 321 Mazzucato, U., 333 Mchedlov-Petrossyan, N. O., Merga, G., 597 Meunier, F., 369 Mittal, J. P., 597 Mohan, H., 597 Moriguichi, I., 349 Morikawa, A., 377 Morokuma, M., 377 Muir, A. V. G., 459 Nagaishi, R., 93, 591 Lu, J-X., 39 629 Parsons, B. J., 83 Pedulli, G. F., 137 Peng, W., 605 Pereira, C.M., 143 Perez, J. M., 609 Peter, L. M., 149 Petrov, N. Kh., 109 Pispisa, B., 435 Pivnenko, N. S., 297 Plane, J. M. C., Porcar, I., 339 Potter, C. A. S., 59 Poyato, J. M. L., 23 Prenosil, J. E., 587 Previtali, C. M., 69 Ramsden, J. J., 587 Rao, B. S. M., 597 Rehani, S. K., 583 Rettig, W., 59 Rey,F., 213 Richter, R., 17 Rocha, M., 143 Rochester, C. H., 203 Rodes, A., 609 Roffa, S., 137 Rosmus, P., 5 17 Rossi, P. F., 363 Ryde,N., 167 Sachtler, W. M. H., 233 Saitoh, T., 479 Salmon, G. A., 75 Sarre, P. J., 517 Sbriziolo, C., 311 Schedel-Niedrig, Th., 403 Schlogl, R., 403 Schnabel, W., 287 Seddon, B.J., 605 Shahid, G., 507,513 Sharma,A., 625 31, 395 Teraoka, Y., 349 Timms, A. W., 83 Timney, J. A., 459 Trejo, A., 113 Tsunashima, S., 549 Turco Liveri, M.L., Turco Liveri, V., 311 Umemoto, H., 549 Unayama, S-i., 519 Valat, P., 411 Valls, M. J., 609 Vedrine, J. C., 193 Venanzi, M., 435 Villamagna, F., 47 Villemin, D., 97 Vlietstra, E. J., 327 Vollmer, F., 59 Vyunnik, I. N., 297 Wang, C. F., 605 Watanabe, H., 571 Werner, H., 403 Whitaker, B. J., 1 Whitehead, M. A., 47 Wikander, G., 305 Williams, D. E., 345 Wilpert, A., 287 Wintgens, V., 411 Wohlers, M., 403 Wormald, C. J., 445 Y agci, Y ., 287 Yamaji, M., 533 Yamanaka, I., 451 Yanes, C., 575 Yoshitake, H., 155 Yotsuyanagi, T., 93,479 Young, R. N., 271 Zhang, X., 605 Zholobenko, V. L., 233 Zhong, G. M., 369 3 11 1 The following papers were accepted between 1st and 31st December 1993: FTIR study of the interaction of hydrogen cyanide with alkali-metal ion, silver(1) and nickel(I1) ion-exchanged near-Faujasite zeolites T.D. Smith and C. J. Blower FTIR spectroscopic study of the zeolitic adsorption of hydrogen cyanide on acidic sites T. D. Smith and C. J. Blower Enthalpies of mixing a non-ionic surfactant with water at 303.15 K studied by calorimetry K. Weckstrom, K. Hann and J. B. Rosenholm Triplet of cyclooctatetraene: Its reactivity and properties T. N. Das and K. I. Priyadarsini Theory of the monolayers of non-Gaussian polymer chains grafted to a surface. Part 1.-General theory V. A. Pryamitsyn and V. M. Amoskov Brensted acid sites in zeolites: FTIR study of molecular hydrogen as a probe for acidity testing J. Dwyer, M. A. Makarova, V. L. Zholobenko, K. M. Al-Ghefaili, N. E. Thompson and J.Dewing Thermodynamic properties of 0-6 mol kg-' aqueous sulfuric acid from 273.15 to 328.15 K S. L. Clegg, J. A. Rard and K. S. Pitzer Pulse radiolysis of iodate in aqueous solution S. P. Mezyk and A. J. Elliot Influence of structure on the optical spectra of Eu3+ in Pb(PO,), glass: Molecular dynamics simulation and crystal-field theory G. Cormier, J.A. Capobianco and C. A. Morrison Chemiluminescent reaction of oxygen atom with dimethyl disulfide and dimethyl sulfide K. V. S. Rama Rao, U. B. Pavanaja, H. P. Upadhyaya, A. V. Sapre and J. P. Mittal Enthalpies of interaction between dimethyldioctadecylammonium bromide vesicles in aqueous solution and either dipicolinate or sulfate anions M. J. Blandamer, B. Briggs, M. D. Butt, P. M. Cullis, M.Waters, J. B. F. N. Engberts and D. Hoekstra Photolysis of HOBr and DOBr at 266 nm: OH and OD product-state distributions J. G. Frey, N. Shaw, A. J. Bell and M. J. Crawford Mechanism of branched carbon-chain formation from CO and H, over oxide catalysts. Part 1 .-Adsorbed species on ZrO, and CeO, during CO hydrogenation K-I. Maruya, A. Takasawa, M. Aikawa, T. Haraoka, K. Domen and T. Onishi Surface characterisation and catalytic activity of C0~g,++4120, solid solutions: Oxidation of carbon monoxide by oxygen F. Pepe and M. Occhiuzzi CoAPO molecular sieve acidity investigated by adsorption calorimetry and IR spectroscopy J. Janchen, M. P. J. Peeters, J. H. M. C. Van Wolput, J. P. Wolthuizen, J. H. C. Van Hooff and U. Lohse Cationic micellar effect on the kinetics of the protolysis of aromatic carboxylic acids studied by the ultrasonic absorption method H.Yano, T. Yamashita, M. Yamasaki, T. Sano and S. Harada Far-IR study of the hydrogen-bond vibration of intramolecular bonds in substituted 2-diethy laminomethylphenol N-oxides as a function of the pK, of the phenolic group G. Zundel, B. Bmezinski and A. Rabold Effect of potassium on the surface potential of titania D. Courcot, L. Genegembre, M. Guelton, Y. Barbaux and B. Grzybowska Preferential solvation of a p-sensitive dye in binary mixtures of a non-protic and a hydroxylic solvent M. C. Rezende, M. Scremin, S. P. Zanotto and V. G. Machado Forces of inertia acting on the aqueous pore fluid of anionic polyelectrolyte gels D.Woermann and N-T. Dang Morphology and polymorphism in molecular crystals: Terephthalic acid R. J. Davey, S. J. Maginn, S. J. Andrews, S. N. Black, A. M. Buckley, D. Cottier, P. Dempsey, R. Plowman, J. E. Rout, D. R. Stanley and A. Taylor The adsorption and decomposition of methanol on TiO,, SrTiO, and SrO M. Bowker, N.Aas and T. J. Pringle Protonated carbamic acid, collisional activation and unimolecular dissociation of CH,NO,' H. Egsgaard and L. Carlsen 11 Temperature dependence of the rate constant for the reaction e,-+ OH in water up to 150 "C A. J. Elliott and D. C. Ouellette Spin trapping of radicals upon irradiation of organobromide compounds with low-energy X-rays A. Halpern and V. E. Zubarev Enzyme catalysis at hydrogel-modified electrodes with soluble redox mediator E.J. Calvo and F. Battaglini Water adsorption in active carbons described by the Dubinin-Astakhov equation F. Stoeckli, T. Jakubov and A. Lavanchy Transfer Gibbs energies for ClO,', BrO;, IO,, C10,- and 10, anions for water-acetonitrile and water-tert-butyl alcohol mixtures J. Benko and 0.Vollarova High-temperature diffusion of hydrogen and deuterium in palladium S. Naito, T. Maeda, M. Yamamoto, M. Mabuchi and T. Hashino Configuration interaction studies on the S, surface of H,CO 2 'A' (0,x* x, n;") as perturber of 1 'B, (n,3s) M. Hachey, P. J. Bruna and F. Grein Catalytic studies with dealuminated Y zeolite. Part 2.-Disproportionation of toluene R. Rudham and N. P. Rhodes Study of the structure-breaking effect in aqueous CsCl solutions based on H,O-D,O isotope effects on transport coefficients and microdynamical properties A.Sacco, H. Weingartner, B. M. Braun and M. Holz ... 111 FARADAY DIVISION INFORMAL AND GROUP MEETINGS Division Annual Congress: The Reactive Interface in Electrochemistry and Catalysis To be held at the University of Liverpool on 12-15 April 1994 Further information from Dr J. F. Gibson, The Royal Society of Chemistry, Burlington House, Piccadilly, London W1V OBN Neutron Scattering Group Neutron Scattering Data Analysis To be held at the Rutherford Appleton Laboratory on 13-15 April 1994 Further information from Mrs S. Humphreys, The Rutherford Appleton Laboratory, Chilton, Didcot 0x11 ORA Colloid and Inter$ace Science Group Theoretical Modelling and Simulation in Colloid and Interface Science To be held at the University of Bristol on 18-20 April 1994 Further information from Dr R.Buscall, ICI Corporate Science Group, PO Box 1 I, The Heath, Runcorn WA7 4QE ~~ Division Autumn Meeting: Reactions and Mechanisms for Fine Chemicals To be held at the University of Glasgow on 6-9 September 1994 Further information from Dr J. F. Gibson, The Royal Society of Chemistry, Burlington House, London W1V OBN Gas Kinetics Group 13th International Symposium on Gas Kinetics To be held at University College, Dublin on 11-15 September 1994 Further information from Dr H. Sidebottom, Department of Chemistry, University College, Dublin Electrochemistry Group with the SCI ELECTROCHEM 94 To be held in Edinburgh on 12-1 6 September 1994 Further information from Professor D.E. Williams, Department of Chemistry, University College London, 20 Gordon Street, London WClH OAJ iv THE ROYAL SOCIETY OF CHEMISTRY, FARADAY DIVISION, GENERAL DISCUSSION 97 Structure and Dynamics of Van der Waals Complexes University of Durham, 6-8 April 1994 Organising Committee: Dr B. J. Howard (Chairman) Dr P. Hamilton Dr J. M. Hutson Dr D. C. Clary Professor A. C. Legon Dr B. Soep Dr P. R. R. Langridge-Smith Since Faraday Discussion No. 73 on Van der Waals molecules, in 1982, the study of weakly bound molecular complexes has developed rapidly. Spectroscopic studies can now yield detailed information on intermolecular potential-energy surfaces in molecular systems.Studies of trimers, tetramers and higher clusters are giving insight into solvation effects and providing information on many-body forces, which are important in understanding the properties of condensed phases. Investigations of photodissociation and predissociation processes are helping us to understand the dynamics of fundamental chemical processes such as molecular rearrangement and energy transfer. In addition, Van der Waals complexes provide an opportunity to control the orientation of colliding molecules and the energies and impact parameters of reactive collisions, and have added significantly to our understanding of the pathways of simple chemical reactions. This discussion will bring together experimentalists and theoreticians who are involved in the study of Van der Waals molecules. The final programme and application form may be obtained from Mrs Angela Fish, The Royal Society of Chemistry, Burlington House, Piccadilly, London W1V OBN.THE ROYAL SOCIETY OF CHEMISTRY, FARADAY DIVISION, GENERAL DISCUSSION 98 Polymers at Surfaces and Interfaces University of Bristol, 12-14 September 1994 Organising Committee: Professor Sir Sam Edwards (Chairman) Dr R. Buscall Professor R. H. Ottewill Dr T. Cosgrove Professor J. S. Higgins Dr R. W. Richards Dr R. A. L. Jones New experimental methods and new theoretical and omputational i chniques have recently led to great progress in understanding the difficult but technologically important problems associated with the conformation of polymer molecules at surfaces and interfaces.The purpose of this Discussion is to bring together experimentalists and theoreticians working towards a molecular understanding of polymers at surfaces and interactions to survey the progress in the area to date and to indicate future directions of research. The meeting will attempt to bring a unified approach to the problem, encompassing problems of the structure of surfaces and interfaces in polymer melts, the conformation of polymers at solidfliquid and liquid/liquid interfaces, and extensions towards more complicated biological systems. The preliminary programme may be obtained from Mrs Angela Fish, The Royal Society of Chemistry, Burlington House, Piccadilly, London W 1V OBN. V THE ROYAL SOCIETY OF CHEMISTRY, FARADAY DIVISION, GENERAL DISCUSSION 99 Vibrational Optical Activity: from Fundamentals to Biological Applications University of Glasgow, 19-21 December 1994 Organising Committee Professor L.D. Barron (Chairman) Dr A. F. Drake Dr D. L. Andrews Professor R. E. Hester Professor A. D. Buckingham Traditional optical activity measurements such as CD are confined to the visible and near-ultraviolet spectral regions where they provide stereochemical information on chiral molecules via polarized electronic transitions. Thanks to prompting from theory and new developments in instrumentation, optical measurements are now being made in the vibrational spectrum using both infrared and Raman methods.Studies over the past decade on a large range of chiral molecules, from small organics to biological macromolecules, have demonstrated that vibrational optical activity opens up a whole new world of fundamental studies and practical applications undreamt of in the realm of conventional electronic optical activity. The meeting seeks to bring together experimentalists and theoreticians to discuss the current and future experimental possibilities and the development of theories, including ab initio computational methods, which can relate the observations to stereochemical details. The increasing importance now being attached to molecular chirality and solution conformation in the life sciences should also encourage the partipation of biomolecular scientists.The preliminary programme may be obtained from Mrs Angela Fish, The Royal Society of Chemistry, Burlington House, London W1V OBH. v1 Are you looking for a source of international research results coveiring all branches of L.chemistry yet in a coricise and easy-to-read format? JOURNALOF CHEMICAL RESEARCH is the answer! Sponsored jointly by the Royal Society of Chemistry, the Gesellschaft Deutscher Chemiker and Societe Franqaise de Chimie, the journal of Chemical Research publishes papers from around the world on all developing areas of chemistry. Unique in format, it consists of two parts: Part S contains brief, browsable synopses and short papers. Part M reproduces the full texts of the above synopses for reference and is available in miniprint or microfiche versions.* Quick to scan* Follow-uptexts* Rapid publication * * * All topics covered Competitive subscription rates international research Don’t waste time in the library when you want to be in the lab -subscribe io ihe Journalof Chemical Research. For further information complete and return the attached enquiry form. 0Please send me further information on the Journalof Chemical Research Name: Position: ROYALAddress : S( KIETY OFC H E M IS1 R Y6&& Please return to: Sales and Promotion Department, Iniomi.itton St*nI( t~,Royal Society of Chemistry, Thomas Graham House, Science Park, Milton Road, Cambridge, CB4 4WF, UK.vii Joint Discussion Meeting 1994 "Self-Organization of Biopolymers" Jena 10-13 April Deutsche Bunsengesellschaftfiil. Physikulische Chemie together with: Associazione Italiana di Chimica Fisica, Divizione di Chimica Fisica Della Societd Chimica Italiuna, Faraday Division of the Royal Society of Chemistry, SocitW FranCaise de Chimie, Division de Chimie Physique Organizers: Manfred Eigen, Rainer Jaenicke, John McCaskill, Peter Schuster (Germany), Len Fisher (UK), Giovanni Giacometti (Italy), Gilbert Weill (France) Self-organization is a decisive process in biological organisms complementing the conservative transfer of information. It is characterised as the emergence of functional relationships between components subject to a comon dynamical process.The molecular level is of special interest in that it allows a physico-chemical description of biological organization. A paradigm of this functional self- organization is presented by the evolution of specifically encoded biopolymers from polymerization kinetics in solution. The interplay between chemical kinetics and the biopolymers it generates is the subject of this workshop. The following areas will be discussed by theoreticians and experimentalists: 0 Principles and Origins of Replication 0 The RNA World Principles and Origins of Coding Systems Protein Mediated Networks Spatial and Functional Organization Papers will be given by: C. Biebricher (MPI Gottingen), M. Eigen (MPI Gottingen), L. De Santis (Univ. Rome), A.Ellington (Univ. Indiana), A. Eschenmoser (ETH Zurich), W. Fontana (Santa Fe Inst.), M. Gebinoga (IMB Jena), A. Goldbeter (Univ. Bruxelles), P. Hogeweg (Univ. Utrecht), H. Jackle (MPI Gottingen), S. Kauffmann (Sante Fe Inst), G. von Kiedrowski (Univ. Freiburg), P.L. Luisi (ETH Zurich), J.S. McCaskill (IMBJena), J. Putz (IBMC Strasbourg), S. Rasmussen (Los Alamos Nat. Lab.), P. Schuster (IMB Jena), R. Thomas (Univ. Bruxelles), P. Willis (Univ. Auckland). Correspondence regarding participation and/or poster presentation should be sent to one of the organizers: Professor Dr J.S. McCaskill, Professor Dr Peter Schuster, Institut fur Molekulare Biotechnologie, Postf. 100813, 07708 Jena Professor Dr Manfred Eigen, Max-Planck-Institut fur Biophysikalische Chemie, Am Fafiberg, 37077 Gottingen Professor Dr Rainer Jaenicke, Institut fiir Biophysik und Physikalische Biochemie, Universitatsstr. 3 1, 93053 Regensburg Dr L.R. Fisher, Physics Department, University of Bristol, Tyndall Avenue, Bristol, BS8 lTL, UK Professor Giovanni Giacometti, Dept. di Chimica Fisica del Univ. di Padova, Via Loredan 2,1-35100 Padova Prof. Gilbert Weill, Institut Charles Sadron, 6 Rue Boussingaut, F-67083 Strasbourg-CCdex ... Vlll