FACULTY

LECTURESHIP IN PHYSICAL CHEMISTRY (VACANCY REF. A038D)

Formal applications, accompanied by a C.V. and the names of three referees should be sent in triplicate to the Personnel Office, Old Shire Hall, Durham, DH1 3HP, U.K. by 28 February 1999.

Please quote the reference number A038D in any enquiries.

A position as Research Associate/Assistant Professor which is tenable for 2+2 years at the Department of Physics and Engineering Physics at Goteborg University, where a targeted area is

modelling of reactions by classical and quantum molecular dynamics methods.

Closing date is 15 February 1999. More information is available in Nature no 6715, 14 Jan 1999, Classified 09.

Informal information can also be obtained from

Gunnar Nyman Office ph.: +46-31-7722270 Department of Chemistry, Secretary: +46-31-7722830 Physical Chemistry, Fax: +46-31-167194 Goteborg University, S-412 96 Goteborg, Sweden

University of East Anglia, Norwich, England

The University has recently announced a substantial investment in the School of Chemical Sciences, enabling it to strengthen core chemistry and to increase its interdisciplinary links with the Schools of Biological and Environmental Sciences, and also with the major science Institutes of the Norwich Research Park.

Accordingly, the School of Chemical Sciences now seeks to build further research strengths in major areas of chemistry, to build further on its successful collaboration with the School of Biological Sciences, and to develop new initiatives with the School of Environmental Sciences. Five faculty posts are available as described below. Whilst it is expected that appointments will be made at lecturer or reader level, depending on the experience and academic record of the applicant, one of the appointments may be made at professorial level for an outstanding candidate. In the case of senior posts, candidates will be expected to provide academic leadership in research, and to further develop links between the School of Chemical Sciences and other UEA Science Schools, members of the Norwich Research Park and national and international research bodies.

Synthetic Organic Chemistry

Researchers with proven expertise in synthetic organic chemistry are welcome to apply. This post would be particularly suitable for those with interests in the synthesis of biomolecular targets such as carbohydrates, nucleic acids and proteins and the development of new synthetic methodology, such as combinatorial chemistry. Applicants seeking to develop collaboration within the Norwich Research Park, especially with the School of Biological Sciences and with microbial and plant scientists in the John Innes Centre, or with food scientists in the Institute of Food Research, will be of particular interest.

Synthetic Inorganic Chemistry

Synthetic inorganic chemists, particularly those relevant to the newly-established Wolfson Laboratory for Environmentally Friendly Catalysis, are invited to apply. The purpose of this Laboratory is to develop and study homogeneous catalysts which avoid the use and production of environmentally harmful substances. Potential catalytic systems of current interest include metal-mediated free radical production, biphasic reactions, biomimetic redox cycling of metal, complexes in aqueous media, metal oxide and hydroxide nanoparticles and reactions in super-critical water.

Biological Chemistry

A protein chemist is sought with interests which will complement existing areas at UEA, such as metalloprotein biology and spectroscopy, and protein structure determination by NMR and X-ray crystallography. The successful candidate will further strengthen the already effective links between the Schools of Biological and Chemical Sciences or be able to exploit the biological strengths within the Norwich Research Park. Research interests in protein structure-function relationships, protein folding, intermolecular interactions or chemical enzymology are particularly welcome.

Physical/Environmental Chemistry

A physical chemist is sought with interests in the application of fundamental theory and/or laboratory techniques relevant to environmental chemistry. Preference may be given to candidates whose research will enhance existing strengths within the School of Chemical Sciences, and help build collaborative research and teaching programmes with the School of Environmental Sciences. Research strengths in the two Schools relevant to the post include: ultrafast laser spectroscopy, photophysics and photochemical kinetics; condensed phase dynamics; thermodynamics of non-ideal solutions.

Environmental Analytical Chemistry

Applications are invited for a post in Environmental Analytical Chemistry to strengthen research in Analytical Chemistry within the School of Chemical Sciences and to enhance links with the School of Environmental Sciences. The preferred applicant will develop novel measurement strategies and/or techniques for target analyte species of environmental relevance either in the hydrosphere or atmosphere. It is intended that the successful applicant will complement the current research interests of faculty at the Analytical interface in the Schools of Chemical and Environmental Sciences and, as appropriate, across the Norwich Research Park.

CHAIR IN COMPUTATIONAL and THEORETICAL CHEMISTRY Applications are invited from candidates demonstrating a high level of achievement in computational and/or theoretical chemistry and the leadership to establish a strong computational and theoretical chemistry group at Nottingham. The ability to develop links that underpin research in chemistry and at interdisciplinary interfaces, e.g. with materials engineering, pharmaceutical sciences or biological and medical sciences, will be important. Please quote ref. MCM/085.

Salary for the Chair post will be within the professorial scale, minimum 37,420 pounds per annum.

LECTURER IN COMPUTATIONAL and THEORETICAL CHEMISTRY Applications are invited for a Lectureship in Computational and Theoretical Chemistry. The successful candidate will be expected to develop collaboration with other research areas within the School. Please quote ref. LEG/428.

Salary for the Lecturer post will be within the range 16,655 - 29,048 pounds per annum, depending on qualifications and experience.

Tel: 0115 951 3260 - Chair posts. Closing date: 15 January 1999. Tel: 0115 951 5927 - Lecturer posts. Closing date: 12 February 1999.

Applications are invited for this professorial position, which is tenable in the Chemistry Department from 1st October 1999 or earlier, from candidates with outstanding research records in Physical Chemistry. Applications from candidates with research interests in classical Physical Chemistry will be welcomed, but so will applications from cognate areas of other disciplines; the remit of the Chair will be interpreted flexibly. A Lectureship in Physical Chemistry may be available to support this appointment.

A full time Research Associate position is available in the DOE Accelerated Strategic Computing Initiative (ASCI) Center at the University of Utah. Salary will be $60K per year with full benefits. The applicant must have a doctoral degree in a scientific discipline, in addition to experience in object oriented programming, including the use of C++, and experience with a Unix OS (SGI preferred) and scientific programming. Experience with FORTRAN programming, MPI parallelization, molecular dynamics, and/or electronic structure codes is desirable. The applicant must have the ability and desire to work in a high profile interdisciplinary environment.

POST DOCTORAL AND VISITING

(Re-advertisement due to withdrawal of a candidate)

A postdoctoral research assistantship is available to start as soon as possible to work on an National Environmental Research Council funded project entitled 'Computational analysis of water absorptions at near infrared and optical wavelengths'. The project will involve the first principles computation of water vibration-rotation spectra using programs developed at UCL, analysis of laboratory spectra, estimation of total atmospheric absorption by water and the construction of a reliable database of water transitions. The appointment will be at the lower end of the Research Staff Scale 1A, currently 15,735 - 23,651 per annum, depending on age, qualifications and experience plus 2,134 London weighting. The grant is for two years although it is College policy to appoint for one year in the first instance.

Prof. Jonathan Tennyson, Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

POSTDOCTORAL POSITION, University of Toronto Professor P. Brumer, Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 1A1. Please call the attention of interested candidates to an open postdoctoral position in my research group. Our group is currently engaged in theoretical work on coherent control of molecular processes, light-matter interactions, semiclassical methods of propagation, quantum and classical analyses of laser induced intramolecular energy redistribution, classical-quantum correspondence, quantum chaos, and decoherence. At present postdoctoral applicants are being sought to enhance our programs in coherent control and in quantum chaos. Interested applicants must be recent Ph.D. recipients and should have high quality training in either molecule-light interactions or quantum chaos/nonlinear dynamics.

One or two postdoctoral research positions are available in Theoretical & Computational Chemistry at the Group of Professor A.J.C. Varandas. The position is for research on potential energy surfaces and reaction dynamics, including non-adiabatic effects. The emphasis will be on systems with relevance in atmospheric chemistry and combustion processes. Applicants are sought with good experience on ab initio electronic structure calculations and/or reaction dynamics. The position is initially for one year, with renewal depending on mutual agreement. Applicants are welcome from all nationals who have obtained a PhD, with the position being available at the earliest convenience. Interested candidates should submit a curriculum vitæ, and arrange for two or three letters of recommendation to be sent to:

Professor A.J.C. Varandas

Departamento de Química

Universidade de Coimbra

3049 Coimbra Codex, Portugal

A postdoctoral position currently exists at the Energetic Materials Center, Lawrence Livermore National Laboratory. We are looking for a candidate to participate in a new effort to develop mesoscale models and apply simulations of large heterogeneous energetic materials. The candidate should have a Ph.D in Physics, Chemistry, Materials Science, or a closely related field, and should have a solid background in molecular/classical dynamics. The position offers excellent interaction with scientists from different fields and a stat of the art computational facility. Interested parties should forward:1) a c.v., 2)a publication list, and 3) the name and addresses of three references, to :

A 2-year Postdoctoral position at KTH (Royal Institute of Technology) within the framework of a DARPA-financed project at FOA (Swedish National Defence Research Establishment) is avaliable.

Knowledge of experimental methods in molecular spectroscopy and chemical physics, as well as the capability of handling pulsed lasers and various spectrometer systems are required. The existing and planned experimental facilities consist of different types of discharge sources, a closed-cycle cryostat equipment and different types of lasers. The capability of planning, setting up and running new experimental equipment is a requirement. Programming experience, as well as knowledge of matrix isolation techniques are appreciated.

Applications should be sent (before April 15, 1999) to: Dr Olli Launila FOA2 Grindsjn SE-147 25 Tumba

A postdoctoral research associate position will be available in molecular laser spectroscopy at Mississippi State University's Diagnostic Instrumentation & Analysis Laboratory (DIAL). DIAL is a multidisciplinary research and development institute, funded predominantly by the Department of Energy. The major emphasis of our research programs concerns application of modern instrumentation including lasers to environmental, combustion and propulsion problems. Many of the projects have both basic and applied aspects.

The research associate for this project will work on application of laser spectroscopy (especially cavity ring-down spectroscopy, photoionization/time- of-flight mass-spectrometry, and laser-induced fluorescence) to environmental/combustion problems. He/she should have a strong background (publications) in laser spectroscopy or a related area.

Individuals who had responded to an earlier advertisement need not reapply because their applications are on file.

We are an equal opportunity, affirmative action institution.

Applications including a vita, summary of research experience, and names of three references should be sent to Dr. Kent M. Ervin, Department of Chemistry/216, University of Nevada, Reno, NV 89557, and received by March 1, 1999, to assure full consideration. Minimum salary $28,000 + benefits; Term: one year, renewable with mutual consent and continuedfunding. The University of Nevada, Reno, is an Affirmative Action/Equal Opportunity employer.

A three year postdoctoral position is available immediately at the University of Cambridge, Department of Chemistry under the supervision of Dr David Klenerman and Dr Shankar Balasubramanain. The project is to perform single molecule fluorescence spectroscopy on cryofixated biomolecules ( rapidly frozen in water) in order to determine the relative stability of different conformations by studying individual molecules labelled with suitable fluorophors. The apparatus for cryofixation, the cold stage for the microscope and the single molecule fluorescence microscope have all been built. We are looking for someone with a background in laser spectroscopy and optics. No knowledge of molecular biology is required but an interest to learn about this subject would be useful. We are seeking to recruit some-one as soon as possible. To apply please send a CV and the name of two referees to:

Dr David Klenerman Department of Chemistry Lensfield Road Cambridge CB2 1 EW

Bioimaging with Ultrafast Lasers

Applicants are invited to develop two-photon fluorescence bioimaging of biological materials. The project, funded under the BBSRC Initiative on Bioimaging, is an interdisciplinary collaboration between the Ultrafast Laser and the Metalloprotein Groups in the School of Chemical Sciences and the Cell Biology Department of the John Innes Centre for Plant and Microbial Science, Norwich. The successful candidate will be based in the Ultrafast Laser group and will be responsible for the operation of an amplified titanium sapphire laser system, and associated optical instruments for multiphoton spectroscopy and imaging. A candidate is sought with experience of one or (preferably) more of the following: ultrafast lasers; nonlinear optics; imaging optics.

The post is available immediately for a period of three years

A postdoctorial position is available at the chemistry department of the Darmstadt University of Technology in the group of Prof. Dr. J. Brickmann. The position is part of the Graduiertenkolleg "Kinetics and Mechanisms of Ionic Reactions" and can be occupied at April 1st, 1999 for a limited time (3 years).

Prerequisites are experiences in theoretical chemistry, preferably in the field of computer simulations of complex systems, and in the application of standard program packages molecular dynamics (Monte Carlo, ab initio, Car Parrinello).

The field of research should be along the lines of the Graduiertenkolleg and it is expected that the applicant will participate actively in the GK. Also, the applicant should support various experimental groups with theoretical calculations within the GK. The scholarship follows the guidelines of the Deutsche Forschung for Graduiertenkollegs.

Applicants should send their CV, publication list, and names of two references to:

Speaker of the Graduiertenkolleg Prof. Dr. K.-P. Dinse Technische Universitt Darmstadt Petersenstr. 20

D-64287 Darmstadt Germany

A post-doctoral position in the Chemical Dynamics Group at Argonne National Laboratory with Albert Wagner and Michael Davis is open. The research involves the development of techniques for reducing the dimensionality of complex chemical kinetics and the incorporation of these reductions into computational fluid dynamics codes describing reactive flows. Of particular interest is the application of low-dimensional manifold techniques for this reduction, but other reduction approaches may also be explored. The project as it has developed is interdiscplinary, involving work in numerical analysis, applied mathematics (particularly dynamical systems), theoretical chemistry, and kinetic modeling. The successful candidate should have some experience in one of these areas.

The Chemical Dynamics Program at Argonne consists of ten permanent staff members, five theoreticians and five experimentalists. It offers a unique opportunity for the close interaction between theory and experiment. The group has a leadership role in a network of groups at Argonne that have a common interest in the simulation of combustion systems. The postdoctoral appointment will carry out research in the context of this network. In this regard, joint projects with computational fluid dynamicists from other groups involved in direct numerical simulation of combustion processes may arise during the course of this appointment.

Argonne is a National Laboratory operated by the University of Chicago for the Department of Energy, and is an equal opportunity employer. The laboratory is located about 25 miles west of Chicago.

The position is available immediately. Applicants must have received their Ph.D. no later than three years before their starting date. Please send a c.v. and have two letters of recommendation to Albert Wagner or Michael Davis, Chemistry Division, Argonne National Laboratory, Argonne, IL 60439

Any of this information, and any questions, can also be mailed electronically to

There is an immediate opening for a post-doctoral fellow in the area of tropospheric modelling in the Atmospheric Research Group at the University of Waterloo.

This position is part of a collaborative project involving industry, government and university researchers. While the position is located primarily at the University of Waterloo, the candidate will work closely with all of the partners, and will spend some time in each of the participating organizations. Applicants should have experience in atmospheric chemistry as well as some familiarity with tropospheric dynamics and with large-scale computing techniques.

The Atmospheric Research Group at the University of Waterloo is a collaboration between Prof. J. Pawliszyn and Prof. J.J. Sloan. Presently, it is focused on the development of new monitoring techniques for tropospheric gas phase and particulate pollutants, with a strong emphasis on urban and indoor air quality. The successful candidate will lead the expansion of this group into the area of modelling. There will be substantial assistance from our collaborators in government and private industry with this effort.

Applicants should forward a CV and two letters of reference to:

A postdoctoral position for a period of a year to two years is available in my group. Activities are focused on the theory of laser cooling of electronically excited polyatomic molecules, quantum thermodynamic rate theory, Laplace inversion methods, theory and control of surface diffusion. Recent publications are: P. Talkner, EP & A.M. Berezhkovskii, Binary collision theory for thermal and nonisothermal relaxation and reaction of polyatomic molecules, Chem. Phys., Vol. 235, 131 (1998). G. Gershinsky and EP, Unimolecular reactions in the gas and liquid phases: A possible resolution to the puzzles of the trans-stilbene isomerization, J. Chem. Phys. Vol. 107, 812 (1997). EP and J.L. Liao, A new quantum transition state theory, J. Chem. Phys., Vol. 108, 2733 (1998). J. Shao, J.L. Liao and EP, Quantum transition state theory: Perturbation expansion, J. Chem. Phys. Vol. 108, 9711 (1998). EP and B. Eckhardt, Semiclassical canonical rate theory, Phys. Rev. E, Vol. 58, 5436 (1998). J.L. Liao and EP, A test of quantum transition state theory for a system with two degrees of freedom, J. Chem. Phys. Vol. 110, p. 80 (1999). H. Wadi and EP, Accurate computation of quantum densities of states and RRKM rate constants for large polyatomic molecules - the STAIR method, J. Chem. Phys., in press.

Applications are invited from UK/EU nationals for a Ph.D. studentship tenable from 1st October 1999 in the group of Dr. Martin Cockett to work

on ion-molecule reactions in cluster ions, studied using mass-resolved laser threshold ionisation techniques. Candidates should hold or expect to hold a first class or upper second class honours degree (or equivalent) in an appropriate discipline and have a strong interest in molecular spectroscopy (experience with lasers is not essential).

Further details of current research interests can be found at:

Interested candidates should in the first instance write, fax or email together with a CV to:

Dr. Martin Cockett Department of Chemistry University of York Heslington, York YO10 5DD UK

Two postdoctoral positions are open in the molecular kinetics and spectroscopy group of Martin Quack at ETH Zuerich for two new projects.The first project involves investigation of intramolecular primary processes on short (fs to ps ) timescales(IVR and simple reactive processes such as stereomutation).In this project it is planned to study the same type of process by two techniques in parallel. 1.High resolution spectroscopy and fully time dependent quantum dynamics derived from this and 2. Femtosecond time resolved techniques.Whereas the first approach has been developed by our group over many years and the know how is available,new experiments are being built during for fs to ps time resolved spectroscopy.It would be useful for applicants to have experience with fs laser techniques.

The second project is situated in the framework of the alliance for global sustainability(AGS) and involves development of new high resolution(FTIR and laser) spectroscopic techniques for atmospheric spectrocopy.Applicants should be enthousiastic about these applications of spectroscopy,they should have adequate familiarity with high resolution spectroscopy,and should be willing to collaborate in an international framework. Both positions are available immediately for one year,renewable for one or more years upon mutual agreement.The salary is Sfr 60000.- per year(about 40000USD).The positions would also be available to particularly gifted graduate students(the salary is then about 60 percent of the above amounts).Send applications to Prof. Martin Quack,Lab.for Physical Chemistry,ETH Zuerich (Zentrum),CH-8092 Zuerich, Switzerland.

Two postdoctoral positions are available in the research group of Daniel Neumark at UC Berkeley. One position is in the field of molecular beam reaction dynamics. Research will focus on photodissociation and reactive scattering of hydrocarbon radicals using molecular beam instruments in my laboratory and at the Advanced Light Source. The second position is in the area of negative ion photoelectron spectroscopy. Research will be centered on studies of size-selected clusters, radicals, and transition states. A strong background in experimental chemical physics is required for both positions. Applicants should send their CV, publication list, and names of three references to: Professor Daniel Neumark, Department of Chemistry, University of California, Berkeley, CA 94720, USA

Applications are invited for a one to two-year postdoctoral research position funded under the EPA STAR Grant project "Aerosol Partitioning and Heterogeneous Chemistry," in the research group of Dr. Roger Miller. The group's research focuses on investigating the chemical and physical properties of tropospheric and stratospheric aerosols.

The successful candidate will be involved in the development and implementation of an in situ spectroscopic technique for monitoring the composition and heterogeneous chemistry of tropospheric aerosols. This technique involves the combination of step-scan FTIR spectroscopy, tunable diode laser spectroscopy and laser induced thermal desorption. The aerosols of interest include those currently being considered by the EPA as a component in future PM2.5 regulations. The goal is to develop non-invasive in situ methods for determining the properties of these semivolatile species.

Opportunities are available on the new Chemical Dynamics Beamline at the Advanced Light Source to study reaction dynamics and photochemistry of radicals and clusters. This unique User Facility

Successful candidates will be expected to develop new radical and cluster molecular beam sources; perform studies of radical photochemistry, crossed-beam reaction dynamics or cluster spectroscopy and dynamics; develop innovative applications of synchrotron radiation to chemical dynamics studies such as coincidence imaging studies of neutral photochemistry; perform collaborative studies with outside users; publish results in recognized journals.

These positions require a PhD in Chemical Physics or a related discipline, experience in molecular beam photochemistry or reaction dynamics studies and a record of publication in chemical dynamics or a closely related field. Experience with synchrotron radiation is useful but not necessary.

Postdoctoral research positions in experimental physical chemistry are available for qualified candidates in the Chemistry Division at the Naval Research Laboratory, Washington, D.C. The opportunity is for femtosecond laser studies of molecular dynamics, such as energy transfer and photodissociation. Projects include studies of molecules in gases, liquids and on interfaces. Applicants familiar with ultrafast lasers and molecular dynamics are preferred. Fellowships are awarded through the NRC, and appointments are for a minimum of one year, renewable to two years. The annual stipend is $48,000. Information on our research, including a publication list, and links to the NRC Postdoctoral Program can be found on our webpage, http://chem1.nrl.navy.mil/molecular

Our group is interested in chemical and physical processes at solid/liquid interfaces. The laboratory is well equipped with STM/AFM, in addition to nsec, psec, and fsec lasers for linear and nonlinear optical laser experiments. Our work is supported by NSF, DOE, and Research Corporation.

The objective of the current project is to study interface dynamics and will ultimately involve combining SPM and optical probes. This is a good opportunity for an individual with strong SPM skills seeking to learn more about optical probes of interfaces. Candidates should have previous experience with STM/AFM. Experience with lasers is a plus. The candidate should have strong problem solving skills, work well with others and demonstrate scientific leadership and initiative.

The Surface Science Center at the University of Pittsburgh provides an excellent research environment. The city of Pittsburgh is safe, pleasant and affordable.

The position is for one year, with possibility of renewal. Applicants should submit a curriculum vitae, a list of publications, a reprint of their most significant work, a statement of research interests and objectives, as well as names and addresses of three references who are willing to write letters of recommendation.

In the ACAS (Analytical Chemistry and Applied Spectroscopy) department of the Chemistry Division, Faculty of Sciences, a two-year postdoctoral position is available in laser spectroscopy. In this department a new line of experimental physical-chemistry research is initiated in the field of dynamic processes in the condensed phase, using an advanced lasersystem, in a newly built laserlab. The aim of this research is to obtain insight in excitation transport and excitation relaxation in complex systems, such as porphyrin clusters and films, and porphyrin-protein complexes. The succesfull candidate will be expected to perform time-resolved resonance Raman and fluorescence spectroscopy on condensed phase systems, on a pico to nanosecond time scale, as part of the program "Spectroscopy and Dynamics of Complex Systems", and to (co)-supervise graduate and undergraduate students in this project. A contribution to the teaching activities of ACAS is also expected. Applicants should have a PhD in physical chemistry, and have practical experience in the field of time resolved laser spectroscopy. Demonstrated interest in (bio)--physical systems would be an advantage.

Applicants should send a curriculum vitae, including the names of two referees, as soon as possible to Prof Jonathan Tennyson.

A postdoctoral position is available in the general area of Femtosecond observation and control of chemical reactions in the research group of Marcos Dantus.

Because funding for this position will come from an Affirmative Action Postdoctoral Fellowship from the College of Natural Science at MSU candidates for the fellowship must be Black, Hispanic, Asian/Pacific Islander or Native American and must be U.S. Citizens or U.S. permanent residents.

This position includes a generous stipend and health coverage.

For information about our research group and about other opportunities visit our web page at:

A postdoctoral position is available in my research group at Stanford University in the area of semiconductor surface chemistry and semiconductor processing. The research will focus on in situ optical spectroscopic studies of chemical vapor deposition, chemical etching, and surface modification of group IV semiconductors. Techniques such as MIR-FTIR spectroscopy and REMPI are combined with mass spectrometry, scanning probe microscopy, and surface analytical techniques to investigate the reaction mechanisms, kinetics, and dynamics of these processes at the molecular level.

An enthusiastic, hardworking individual with a strong background in laser spectroscopy and/or surface science is preferred. The initial appointment will be for one year, with the option of a second year upon mutual agreement. The position is available immediately, but later dates may be arranged.

Stanford University is an equal opportunity / affirmative action employer encouraging applications from women and minority candidates.

A postdoctoral position is available immediately in the lab of Scott Anderson at the University of Utah. The experiment combines a flow tube reactor with a tandem guided ion beam mass spectrometer to study the unimolecular decomposition mechanisms of strained high-energy-density molecules (e.g. cubanes, quadricyclanes, bicyclobutanes). Ab initio calculations are carried out to aid interpretation. A secondary goal of the experiments is to test applications of low energy guided ion beam scattering to analytical mass spectrometry, and resolution of strained and chiral isomers will be investigated. More information on the instrument can be found in Int. J. Mass Spectrom. Ion Proc. 167/168 (1997) 269, or at the following web address:

Experience with ion beams or mass spectrometry is helpful, however, the most important criterion is creativity. The initial appointment will be for one year, and is renewable for a second year based on progress and availability of funds. Salary will be competitive, and the position includes excellent health insurance. Salt Lake is a great place to live, with world-class skiing, hiking, and biking close by, good neighborhoods near campus, and excellent public schools. The University of Utah is an AA/EEO employer, and applications from qualified women and minority candidates is encouraged. If interested, please send a CV and arrange for three letters of recommendation to be sent to: Prof. Scott L. Anderson, Chemistry Dept., University of Utah, 315 S. 1400 E., Salt Lake City, UT 84112.

The postdoctoral candidates at the Naval Research Laboratory must be U.S. citizens. Initial appointments are for one year and are routinely renewable for a second year. The stipend is $47,000 per year with additional funds for moving expenses and professional travel to meetings.

The applicant is responsible for selecting a research project and writing a short research proposal in collaboration with the prospective advisor. It is my experience that the application proposal takes about four weeks to complete. The deadlines for applications are 15 January 1999 and 15 April 1999, with the earliest possible starting times of July 1999 and October 1999, respectively. For further information please contact me through e-mail or by phone. Please post or share the attached announcement with your colleagues.

Dr. Jane K. Rice, Chemistry Division, Code 6111, Phone 202 767-0721, FAX 202 404 -8119, Rice@ccf.nrl.navy.mil

I have a post-doctoral position available January 1, 1999, in my lab at Texas Texas Tech University. The research involves photoelectron spectroscopy of metal hydride anions, such as LiH2-, MgH₃-, BH₄-, and AlH₄-. The desired candidate would have experience in laser spectroscopy, electronics, and computer programming. Experience with vacuum systems and mass spectrometry would also be helpful, but not required.

Applications, including a CV and 2 letters of recommendation, should be sent to:

Texas Tech is an EE/AA employer.

A post-doctoral position is available in the Chemical Dynamics Group at Argonne National Laboratory. The research involves development and application of laser based experimental methods in high-temperature gas-phase kinetics in the laboratory of Jan P. Hessler. The successful candidate will be expected to measure the rates of reactions under non equilibrium conditions, perform state-to-state relaxation measurements, and study important dissociative and associative reactions. The results obtained from these experiments will be analyzed with state-of-the-art Master Equation and Monte Carlo techniques. The Chemistry Division of Argonne National Laboratory has a strong Chemical Dynamics Group, composed of several theoretical chemists and experimentalists, and the successful candidate will be encouraged to interact with others in the group and to develop new research ideas. The position is available immediately. However, depending upon circumstances, the successful candidate may choose to start in the coming Spring or Summer. Please send a curriculum vitae and have two letters of recommendation sent directly to Dr. Jan P. Hessler, Chemistry Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439-4831,

Communication via electronic mail or facsimile to 1-630-252-4470 are acceptable.

A postdoctoral position in theoretical chemical physics is available. The successful candidate will choose one (or more) of several planned research projects in the general fields of: (1) Molecular dynamics in intense and/or short-pulse laser fields (2) Reaction dynamics at interfaces (3) Mathematical method development. The starting date is flexible.

For more information about recent and ongoing research projects see

http://gold.nrc.ca/~tamar

Steacie Institute for Molecular Sciences, National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Phone: (613) 990-0945, FAX : (613) 947-2838

The Gas Phase Chemical Dynamics Program at Argonne National Laboratory has an opening for a postdoctoral appointment working with R. Glen Macdonald. The research involves the use of high resolution time-resolved near infrared and infrared absorption spectroscopy to study the spectroscopy, dynamics and kinetics of radicals of interest to combustion and atmospheric chemistry. The main thrust of the program over the next few years will be to study the dynamics and kinetics of atom + radical and radical + radical processes; however, other studies are possible, depending on the qualifications and interests of the successful candidate. Several recent articles will give potential candidates an idea of the variety of problems that can be tackled with this apparatus; a) Infrared Spectroscopy, J. Mol. Spectroscopy 186, 349 (1997). b) Chemical Kinetics, J. Phys. Chem. 102, 4585 (1998), and c) Chemical Dynamics, J. Chem. Phys. 109, Sept. 15 (1998). The successful candidate should be planning to graduate soon or be a recent graduate from a Chemical Dynamics or Kinetics Program, and have experience in laser spectroscopy, vacuum techniques, and computer data acquisition. A background in rovibrational spectroscopy of polyatomic molecules would be a desirable asset. An application will require a CV and three letters of recommendation. For further information, interested candidates should contact Glen Macdonald.

The Gas Phase Chemical Dynamics Program at Argonne consists of ten permanent staff members, five theoreticians and five experimentalists. It offers an unique opportunity for the close interaction between theory and experiment. Argonne is a National Laboratory operated by the University of Chicago for the Department of Energy, and is an equal opportunity employer. The laboratory is located about 25 miles west of Chicago. R. Glen Macdonald Ph. (630) 252-7742 Argonne National Laboratory Fax. (630) 252-4470 Chemistry Division

J. Chem. Phys.

C. J. Kreher, R. T. Carter and J. R. Huber*

Physical Chemistry Institute, University of Zurich, Wintherthurerstr. 190, CH-8057, Switzerland,

The effect of a cluster environment on OClO dissociation was investigated by measurement of the internal excitation of the ClO photofragment and the O and ClO photofragment speed distributions.

J. Phys. Chem.

Alan Furlan

Physikalisch-Chemisches Institut der Universitt Zrich, Winterthurerstrasse 190, 8057 Zrich, Switzerland.

Time-of-flight distributions of iodine fragments ejected from a liquid surface after a photoexcitation pulse indicate an accumulation and preferential orientation of the chromophores at the gas-liquid interface.

Chem. Phys. Lett.

C.M.Dion, A.D.Bandrauk, A.Keller, O.Atabek, H.Umeda and Y.Fujimura

Laboratoire de Photophysique Moleculaire, Univ. Paris-Sud, Orsay, 91405, France; Graduate School of Science, Tohoku University, Sendai, Japan, 980.

Using ab-initio nuclear-coordinate dependent dipole moments and polarizabilities,the dynamics of "orientation" as compared to "alignment" was studied numerically by solving the corresponding full time-dependent Schroedinger equation in the presaence of a superposition of intense, linearly polarized IR laser pulses of frequency w and 2w. Optimal orientation occurs for field configurations E(t) = Eo(t) (cos(wt) + 0.5cos(2wt)) where 2w is resonant with a 0-1 vibrational transition for picosecond Eo(t) pulses.

Phys. Rev. A

A.D. Bandrauk and J. Ruel

Laboratoire de Chimie Theorique, Fac. des Sciences, Univ. de Sherbrooke, Que, J1K 2R1, Canada.

Numerical solutions of the time-dependent Schroedinger equation for one-electron 2-D H₂+, H₃⁺⁺ molecular ions have been obtained in order to illustrate the dependence of Charge Resonance Enhanced Ionization, CREI, on the angular orientation of the molecule. For H₃⁺⁺ both linear and triangular geometries have been considered. It is found in general that orientational effects on ionization rates, induced dipole moments and torques,are most significant at the critical distances Rc and critical angles Oc of molecular geomtry where CREI occurs. These exact calculations allow for estimation of the "alignment" times of the ions near the dissociative ionization regime of these ions in intense laser pulses.

Christian Naulin and Michel Costes*

UMR 5803 CNRS - Universite Bordeaux I, Laboratoire de Physico-Chimie Moleculaire, Universite Bordeaux I, 33405 Talence Cedex, France

The reaction Al(²P_1/2,3/2 ) + O₂ is revisited at low and very low kinetic energies (250 - 6 meV) with a new crossed beam apparatus.

J. Chem. Phys.

L.C.L. Huang, Y.T. Lee and R.I. Kaiser

J. Chem. Phys.

R.I. Kaiser, A. Mebel, A.H.H. Chang, S.H. Lin and Y.T. Lee

Astrophys. J.

R.I. Kaiser, C. Ochsenfeld, M. Head-Gordon and Y.T. Lee

J. Chem. Phys.

R.I. Kaiser, C. Ochsenfeld, M. Head-Gordon and Y.T. Lee

J. Chem. Phys.

C. Ochsenfeld, R.I. Kaiser, Y.T. Lee and M. Head-Gordon

J. Chem. Phys.

R.I. Kaiser, I. Hahndorf, L.C.L. Huang, Y.T. Lee, H.F. Bettinger, P. v.R. Schleyer, H.F. Schaefer

D. Dakternieks*, A.E.K. Lim and K.F. Lim*,

Biol. and Chemical Sciences, Deakin University, Geelong, VIC 3217, AUSTRALIA

Competitive reactive pathways for dissociation of organotin cations.

Physical Chemistry Chemical Physics

D.A. McCormack and K.F. Lim*

Biol. and Chemical Sciences, Deakin University, Geelong, VIC 3217, AUSTRALIA

Constrained-classical mechanics is used to mimick quantized behaviour, i.e. preventing the flow of energy from vibrational zero-point motion to the reaction coordinate motion.

Phys. Chem. Chem. Phys.

V. Aquilanti, S. Cavalli, D. De Fazio, A. Volpi

Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy

A. Aguilar, X. Giménez, and J. M. Lucas

Departament de Qu'mica F'sica, Universitat de Barcelona, 08028 Barcelona, Spain

This work reports on the performances of the Hyperquantization Algorithm in the symmetric hyperspherical coordinate representation for the F + H₂ reaction. The use of alternative sequential diagonalization schemes has greatly reduced the computing time and memory requirements. The effectiveness of the sequential diagonalization-truncation depends on the topology of the potential energy surface, which varies along different ranges of the hyperradius. The appearance at r  ~ 4 a₀ of the ridge line on the potential energy surface, which separates the reactant and product valleys, marks the transition between the regions of preferential applicability of two alternative ways to perform sequentially the diagonalization of the fixed-r  Hamiltonian matrix.

R. G. Littlejohn and K. A. Mitchell

Department of Physics, University of California, Berkeley, California 94720 USA

V. Aquilanti

Dipartimento di Chimica dell'Università, 06100 Perugia, Italy

For the dynamical treatment of polyatomic molecules or clusters as n -body systems, the kinematic invariants are related to the three principal moments of inertia of the system. At a fixed value of the hyperradius (a measure of the total moment of inertia), the space of kinematic invariants is a certain spherical triangle, upon which angular coordinates can be imposed. It is shown that this triangle provides the 24-element (group O ) octahedral tesselation of the sphere for n=4 and the 48-element (group O_h ) octahedral tesselation for n³ 5. Eigenfunctions describing the kinematics of systems with vanishing internal and external angular momentum can be obtained in closed form in terms of Bessel functions of the hyperradius and surface spherical harmonics. They can be useful as orthonormal expansion basis sets for the hyperspherical treatment of the n -body particle dynamics.

Ventura, California, Feb. 28 - March 5, 1999

The program is now on the web at:

If this conference is of interest to you, please add this address to your bookmarks.

Brian Head, Utah, March 13-17, 1999 The Henry Eyring Center for Theoretical Chemistry at the University of Utah and the Quantum Theory Project at the University of Florida wish to announce a workshop on "Time-Dependent Quantum Molecular Dynamics". At this time, there is space for 20 more attendees, in addition to the invited speakers and their selected graduate students/postdocs. More information on the workshop and a registration form may be found at the web site:

Please download the registration form and mail it to me at the address below if you are interested in attending.

This workshop should prove to be a very stimulating meeting focused on a topic which has emerged as one of the central themes in theoretical chemistry.

Anaheim, California, March 21-25, 1999

Heavy Element Complexes: The Convergence of Theory and Experiment, (Joint with NUCL), James V. Beitz, Chemistry Division, Argonne National Laboratory, Argonne IL 60439, (630)252-7393 email: beitz @anlchm.chm.anl.gov; David L. Clark, G. T. Seaborg Institute, Mail Stop E500, Los Alamos National Laboratory, Los Alamos, NM 87545, email: dlclark@lanl.gov

Radicals in Condensed Phases, David Bartels, Chemistry Division, Argonne National Laboratory, Argonne IL 60439, (630)252-3485 fax: (630) 252-4993 email: bartels@anlchm.chm.anl.gov; Greg Schenter, Environmental Molecular Science Lab, MS K1-96, Pacific Northwest National Laboratory, Batelle Blvd, Richland, WA 99352, (509) 375-2945, email: gk_schenter@pnl.gov

University of Lausanne (Switzerland), 9-10 April 1999

Chairmen: M. Chergui and S. Haacke

Recent progress in protein synthesis and spectroscopy is a strong motivation for a workshop focusing on bacteriorhodopsin and its mutants. The central subject of the workshop is the relation between structure and photosensitive functions of the BR protein, with special emphasis on the dynamics, both from the experimental and theoretical point of view. Adressing a specific community and a well-defined topic, the workshop will allow for a very informal and direct exchange of information and ideas.

Topics to be covered include BR synthesis and mutagenesis, X-ray diffraction, steady-state and ultrafast spectroscopy, as well as theoretical modelling.

The following invited speakers have so far confirmed their participation:

P. Anfinrud (Bethesda, USA), G.H. Atkinson (Tucson, USA), E. Bamberg (Frankfurt), Ch. Bressler (UNI Lausanne), G. Bldt (Jlich), M. Chergui (UNI Lausanne), L.O. Essen (MPI, Munich), J. Heberle (Jlich), R. Henderson (MRC, Cambridge), E. Landau (Biozentrum Basel), R. Neutze (Uppsala, Sweden), M. Ottolenghi (Jerusalem), E. Pebay - Proula (IBS, Grenoble), M. Sheves (Rehovot, Israel), K. Schulten (Urbana, USA), V. Sundstroem (Lund, Sweden), W. Zinth (LMU, Munich).

The workshop will take place at the campus of the University of Lausanne, a green park area next to Lake Geneva, offering an impressive view of the Alps. Accomodation will be downtown (see below for hotel reservations) and can be reached easily within 20 min by public transportation. Lausanne is directly linked through frequent train connections with the airports in Geneva (40 min) and Zurich (2h 45min), and is also easily accessible by train from other major European cities.

Participants are encouraged to submit contributions in the form of posters. These will be posted close to the conference room and will be accessible throughout the workshop. A one-page abstract should be submitted before March, 30th 1999. All contributions are accepted without selection.

The registration fee will be including attendance at the workshop, workshop dinner, and coffee breaks.

Aberdeen, UK, 11-14 April 1999

This specialist workshop is sponsored by CCP6 (the UK Collaborative Computational Project on Heavy Particle Dynamics). The meeting will focus on the challenging problems associated with wide amplitude rovibrational bound state calculations in tetraatomic molecules and larger. Topics covered will include: coordinate systems; derivation of exact kinetic energy operators; representation of potential energy surfaces; choice of basis functions; strategies such as the discrete variable representation and contraction schemes; large matrix diagonalisation methodologies; and opportunities offered by supercomputer architectures.

We intend to limit participation to about 30 keenly interested people, with 12 invited talks. The format will be "Gordon Conference style", with sessions in the morning and evening but afternoons free.

Invited speakers will include:

Zlatko Bacic (USA), Tucker Carrington (Canada), David Clary (UK), Benny Gerber (Israel), Nicholas Handy (UK), Lauri Halonen (Finland), Claude Leforestier (France), Kevin Lehmann (USA), David Nesbitt (USA), Jonathan Tennyson (UK), Ad Van der Avoird (Netherlands) Organising committee: Mark Law, e-mail: M.M.LAW@ABDN.AC.UK, Jeremy Hutson, Ian Atkinson,

For further information please consult the conference Web page

The Ion and Plasm surface Interactions Group of the Institute of Physics have organised a 1 day meeting on 15/4/99 in conjunction with the IOP congress in Manchester entitled "Energetic Molecule and Cluster Interactions with Solid Surfaces".

Roger Smith, School of Mathematics and Physics, Loughborough University, Loughborough LE11 3TU, UK. tel: 44 1509 223192 fax: 44 1509 223969 Web:

Conference Chair: Professor Nick Quirke, Imperial College, Editor-in-Chief, Molecular Simulation Journal

Dates: 19 April - 4 May '99

URL: http://molsim.vei.co.uk/

** Now calling for PAPERS - Submit your abstract via the on-line form at http://molsim.vei.co.uk/submissions/index.html N.B. Deadline for abstracts = 1 March 1999

** FREE Registration to attend the conference now available - Fill in the form at http://molsim.vei.co.uk/register/index.html

DESCRIPTION

The international journal Molecular Simulation is sponsoring a virtual conference on the latest applications and techniques in the field. The conference will bring together experts, in a wide range of disciplines encompassed within the physical and biological sciences, using molecular simulation and related techniques. An important aim of the meeting is to foster cross fertilisation of ideas, algorithms and applications between them. Sessions will include papers on topics in physics, chemistry, materials science, biology and pharmacology. Comment and discussion will be encouraged and the resulting material will be edited and form part of the proceedings.

The format of the virtual conference will be formal sessions with invited and contributed papers, posters and subsequent interactive discussions with authors, where comment and criticism will be sought on the formal lectures (along the lines of a Faraday Discussion). During the conference all material will be accessible at the conference Web site and accepted papers will be published after the end of the conference (following refereeing and editing) in Molecular Simulation.

TOPICS, CHAIRS and SPEAKERS

The six sections will cover the following topics. Also find listed the chairs for each topic and some of the invited speakers confirmed so far.

Applications:

1. Frontiers of Materials Science Chairs: Prof. Alain Fuchs, Prof. C R A Catlow Invited Speakers:

2. Novel Applications in Chemistry and Physics Chairs: Prof Donald Brenner, Dr. Deepak Srivastava Invited Speakers:

3. Computer based Modelling, Simulation, and Analysis of Biological and Pharmacological Systems Chairs: Prof. Graham Richards, Dr. Jeffrey L. Nauss Invited Speakers: Steve Doughty, Vijay Gombar, Ian Haworth, Prof. Mati Karelson, Dave Winkler

Methodology:

4. Advances in Mesoscale Simulation Methodology Chairs: Dr. Julia Yeomans, Dr. Dave Nicolaides Invited Speakers: Bruce Boghosian, Hudong Chen, J.G.E.M. Fraaije, Anatoly Malevanets

5. Non Equilibrium and Monte Carlo Simulation Chairs: J.M.D.MacElroy, B.E.Ph.D., Grant S. Heffelfinger, Ph.D. Invited Speakers: Prof. David M. Ford, Prof. Akira Miyamoto, Dr. David Nicholson, Prof. Tomoshige Nitta, Dr. Aidan Thompson, Dr. Karl P. Travis, 6. Advances in Quantum Simulation Chairs: Dr. Dominic King-Smith, Dr. M.C. Payne Invited Speakers: Mike Gillan, Pablo Ordejon, Dr. Mike Payne, Gustavo Scuseria, Alain St-Amant

Department of Chemistry, Darmstadt University of Technology, May 27 - 29, 1999

Scope of the Symposium: Large and complex systems provide some of the most challenging experimental and theoretical problems in modern chemistry. By complex systems, it is meant that the systems as well as the models used should reflect chemical conditions in a realistic way. This requires the proper and simultaneous treatment of different species and phases. The purpose of this symposium is to survey recent research in the development of new model scenarios, new theoretical approaches and simulation techniques of complex systems and processes as well as subtle experimental techniques in order to study these kinds of systems.

It is the aim of this meeting to discuss various ways to overcome the limitations of individual methods by combining different approaches and to demonstrate in this way the power of new concepts and technologies.

The invited speakers are selected from a wide variety of fields ranging from philosophy to preparative chemistry. Therefore, the meeting is expected to be of interest to both experimentalists and theorists from all branches of science, as well as mathematicians and computer scientists.

D. Avnir, Jerusalem (Israel); V. Aquilanti, Perugia (Italy); H. Baumga"rtel, Berlin (Germany); R.S. Berry, Chicago (USA); P. Bopp, Bordeaux (France); E. Braendas, Uppsala (Sweden); L. Cederbaum, Heidelberg (Germany); B. Gerber, Jerusalem (Israel); E. Gudowska-Nowak, Krakow (Poland); R. Kniep, Darmstadt (Germany); G. Kothe, Freiburg (Germany); H. Kubinyi, Ludwigshafen (Germany); R. D. Levine, Jerusalem (Israel); H. Limbach, Berlin (Germany); P. Mezey, Saskatchewan (Canada); J. Mittelstrass, Konstanz (Germany); K. Schulten, Urbana-Champaign (USA); A. Sgamellotti, Perugia (Italy); A. Skerra, Darmstadt (Germany); J. Weber, Geneva (Switzerland); E. Yurtsever, Istanbul (Turkey);

Ameland, The Netherlands, May 30 - June 4, 1999

Chairmen: Steven Stolte (VU Amsterdam) and Gerard Meijer (KU Nijmegen)

EXECUTIVE COMMITTEE Terry A. Miller, Chair, Frank C. DeLucia, Eric Herbst, C. Weldon Mathews, Russell M. Pitzer

INTERNATIONAL ADVISORY COMMITTEE Phil Bunker (NRCC),Chair* Michael A. Duncan (U. Georgia) Wolfgang Ernst (Penn. State U.)* Michael C. L. Gerry (U. British Columbia) Yen-Chu Hsu (Academia Sinica) Jaan Laane (Texas A&M U.) Ronald M. Lees (U. New Brunswick)* John P. Maier (U. Basel) A. Robert McKellar (NRC) W. Leo Meerts (U. Nijmegen) Klaus Muller-Dethlefs (York U.) David Nesbitt (U. Colorado) Stewart Novick (Wesleyan U.)* Agnes Perrin (University Paris Sud) Eric Rohlfing (Sandia National Labs) David Dale Skatrud (ARO) Richard D. Suenram (NIST) Keiichi Tanaka (Inst. Molecular Science) * steering committee member

INFORMATION FOR 54th MEETING

PLENARY SPEAKERS Geoff Blake, California Institute of Technology Shuji Saito, Institute for Molecular Sciences Paul Davies, Cambridge Uni