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technical note:
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Sorry for the inconvenience.
R. W. A. & M. B.
MDN is an informal newsletter of coming attractions and current events in the world of reaction dynamics and associated phenomena. It is produced without profit through the support of its subscribers^* and patrons. Please renew your subscription by using the form at the bottom of this page.
The format for MDN is
Send all material for issue 84 to Prof. R.W. Anderson (You are encouraged to use electronic mail: ANDERSO@CATS.UCSC.EDU). (Please keep line length less than 75 characters.) Editing time will be saved if submissions correspond to the formats found in this issue (#83). The closing date for issue number 84 is August 1, 1996.
^*1996 Calendar-Year subscription for MDN, (six issues). North America: ($20/year US currency) : Your check for one or more years should be paid out to The Regents of the University of California. Send it to Roger W. Anderson, and include your name, address, and optional information like email addresses and FAX numbers. Elsewhere: Your check for the equivalent of US $20/year in any convertible currency should be paid out and sent to Prof. V. Aquilanti. Amount enclosed Name: Address: Electronic Mail Address (optional): WWW Address (optional): Fax Number (optional): Delivery Method: Hardcopy ______Email(PostScript) _____Email(LaTeX) _____Mosaic ____
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MOLECULAR DYNAMICS NEWS EMAIL LIST
All members of the chemical physics community are invited to join the (free) "molecular-dynamics-news" email list. The "molecular dynamics" in the title is to be interpreted as meaning "dynamical processes in molecules" rather than "classical simulations of molecular motion". The list can be used to distribute details of conferences, vacant academic and postdoctoral positions, changes of address and other news in the Molecular Dynamics field. It also serves as an archive of up-to-date email addresses for people in the field. The list was created by Jeremy Hutson in June 1993 and in July 1995 had about 1000 members.
Instead of being maintained manually, the list is operated by a system called "mailbase". People can join or leave the list simply by sending messages to the mailbase program, without the list owner needing to do anything. To join the email list, send a message to the Internet address mailbase@mailbase.ac.uk containing a line of the form:
join molecular-dynamics-news John F Kennedy
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GEORGIA INSTITUTE OF TECHNOLOGY, School of Chemistry and Biochemistry
A postdoctoral position will be available in the theory group of Rigoberto Hernandez at the Georgia Institute of Technology beginning January 1, 1997. The focus of the work will involve understanding the reaction dynamics of polymerization using computational and analytic theoretical methods. In one approach, we have developed a polymer growth lattice Hamiltonian in which the lattice positions describe bonds rather than monomers. Monte Carlo "Dynamics" will be used to study the behavior of these lattices in 2 and 3 dimensions, as well as to explore equilibrium properties. Analytical methods will be pursued in order to make better connection between the properties of the polymer growth Hamiltonian and realistic polymer systems. In a second approach, we have developed a new stochastic equation of motion which describes the dynamics of thermosetting polymers in analogy to the Langevin model. The potential of mean force is described in terms of the length of the polymer - a variable which is fixed in the usual models - rather than the overall size. This is a natural variable to describe the extent of reaction. The macroscopic changes in the viscosity of the system, as they affect the reaction profile, will be included using a friction dependent on the reaction profile itself. The position is for a two year tenure, and will be compensated by a generous salary (proportional to experience) and health benefits. Interested individuals should send a statement of research interests, a Curriculum Vitae and the names of three references by e-mail to Hernandez@chemistry.gatech.edu, or by regular mail to Prof. Rigoberto Hernandez, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400.
UNIVERSITY OF ILLINOIS AT CHICAGO, Department of Chemistry
A post-doctoral position will be available in the laboratory of Robert Gordon at the University of Illinois at Chicago in the area of coherent control of chemical reactions. We have recently succeeded in using quantum mechanical interference to control the branching between ionization and dissociation of hydrogen iodide (Science, 270, 77 (1995).) The next generation of experiments will probe this result in depth, using techniques such as photoelectron spectroscopy and imaging, as well as attempt to control the breaking of specific bonds in more complex systems.
The position is expected to become available by September, 1996, with a salary of $28,000/yr. Experience with pulsed lasers and ion optics is desirable. Interested candidates should send a resume and two letters of recommendation to Robert Gordon, who is presently on sabbatical in the Department of Physics at the University of Michigan, Ann Arbor, MI 48104. (tel: 313-763-9649; fax: 313-763-9694; email: rjgordon@uic.edu)
INSTITUTE FOR MOLECULAR SCIENCE
Applications are invited for a postdoctoral position at Institute for Molecular Science to study photodissociation and bimolecular reaction dynamics in the gas phase. (1) Detailed dynamics of molecular energy transfer and photodissociation is studied by the measurement of the time evolution, velocity distribution, and alignment of reaction products. A molecular beam method is coupled with 1D time-of-flight and 2D ion imaging techniques using nano- and femtosecond lasers. (2) Crossed molecular beam method is employed to study inelastic and reactive scattering processes. The reaction dynamics of O(1D) atoms is studied by using photolytic atomic beam source. Scattering distributions of products are mapped out by 2D ion imaging method.
For further information, please contact Prof. Toshinori Suzuki, Institute for Molecular Science, Myodaiji, Okazaki, 444 Japan. (suzuki@ims.ac.jp; FAX 81-564-54-2254)
WAYNE STATE UNIVERSITY, Department of Chemistry
A postdoctoral position in theoretical quantum chemical dynamics is available at Wayne State University in my research group beginning approximately on April 15, 1996. One focus of the research is the exploitation of scaleable parallel computing in quantum wavepacket dynamics in order to extend the size and complexity of the systems that can be studied accurately. Another focus is to address fundamental problems in chemical dynamics, e.g., understanding the role of overlapping resonances, using realistic molecular systems. Parallel algorithms will be developed, implemented and applied to several interesting and computationally challenging chemical systems. Possible studies include the calculation of reaction probabilities in a full six degree-of-freedom study of the OH + CO reaction, a study of the effects of total angular momentum on the reaction probabilities in the H + O_2 reaction, the accurate calculation of high angular momentum states for several predissociative systems including vibrationally excited HCO and the Van der Waals molecule ArI_2, and some reduced dimensionality studies of interesting organic reactions. Some of this research will be done in collaboration with S.K. Gray of Argonne National Laboratory. Calculations will be performed on the IBM SP2 at the Cornell Theory Center, the IBM SP at Argonne National Laboratory, and the Cray J916 at the Wayne State University High Performance Computing Facility. The Chemistry department at WSU has a strong and prominent contingent of theoretical/computational chemists.
This is a one year appointment with a possible renewal for a second year. Interested candidates should send a CV, a publication list and three letters of recommendation to Evelyn Goldfield, Dept. of Chemistry, Wayne State University, Detroit, MI 48202. If you want to contact me directly send email to evi@gopher.chem.wayne.edu or phone me at 313-577-2520/2580. My fax number is 313-577-8971. Further information about Wayne State University can be found on the world wide web at http://www.wayne.edu/
OHIO STATE UNIVERSITY, Department of Chemistry
A post-doctoral position is available immediately in the research group of Anne B. McCoy at Ohio State University. The successful candidate should have a PhD in theoretical chemistry and experience with classical or quantal dynamics studies. The initial appointment will be for one year, but funds are available for a second year of support.
My group is interested in the effect of solvation on the dynamics of chemical reactions, with an emphasis on hydrogen or proton transfer systems. In particular, our research addresses the question of how dynamics of processes in solvated environments differ from those between isolated atoms and molecules. We are also working to develop approximate methods that allow the inclusion of quantum effects in calculations of dynamics for these systems where full quantal calculations are currently computationally intractable. Our focus is on the chemistry in and between clusters, where direct comparison to experimental results can be made.
As stated above, the position is available immediately, but starting dates in the spring, summer or early fall of 1996 will be possible.
Applicants should send to me ( addresses below) a c.v. and at least two letters of recommendation.
Anne B. McCoy email: McCoy+@osu.edu Department of Chemistry McCoy@mps.ohio-state.edu The Ohio State University phone: (614)292-9694 100 W. 18th Ave. FAX: (614)292-1685 Columbus, OH 43210
OHIO STATE UNIVERSITY, Department of Chemistry
A National Research Council(USA) Postdoctoral Associateship is available at the Phillips Lab (Edwards Air Force Base, CA). The position has an application deadline of April 15 for June evaluation and August 15 for October reveiw. Associateships are one year in duration with renewal for a maximum of three years (total). Salary is very good. Program requirements are:
Ph.D. within past 5 years U.S. citizen Strong academic record and references Brief research proposals as part of application
Specific needs for the intended project are:
Physical Chemistry/Chemical Physics Major (experimental thesis) Experience with Infrared Diode (lead salt) Lasers Stong electronics/Instrumentation skills (Ability to modify diode laser system for rapid wavelength scanning, time-resolved signalprocessing instrumentation, vacuum equipment, etc.) Mature and Independent (Candidate will initiate this capability at Edwards Air Force Base, a lot of hardware already here)
The project will involve infrared CO2 laser pyrolysis of energetic molecules and diode laser probing of species generated into the gas phase. Mechanistic and kinetic detail (microsecond regime) is desired from this ir pump-ir probe experiment. Our staff is technically strong and multidisciplinary, enthusiastic and hard-working but the atmosphere is relaxed. The right person will have a realistic outlook in addition to being technically mature (Lab is 40 miles NE of Lancaster, CA in the Mojave desert and lacks amenities of University setting). Further information is available from Angelo Alfano tel: 805 275-6176 email: Angelo_Alfano@ple.af.mil I would welcome recommendations from those who are not seeking such a position but are aware of a good match for this opportunity.
UNIVERSITY OF NORTH CAROLINA, Department of Chemistry
A postdoctoral position is available in the laboratory of Prof. Roger Miller at the University of North Carolina at Chapel Hill. This position is initially for one year, with the assumption that it will be extended to a second. Depending upon the background and interest of the successful candidate the research project will either be 1) State-to-state photodissociation studies of oriented molecules or 2) State-to-state scattering from single crystal surfaces. In both cases we are using F-center lasers in combination with the optothermal detection method to study the relevant dynamical processes. A strong background in chemical dynamics is essential. Those interested should send a resume and have at least two letters of reference forwarded to me. Starting date is sometime this summer or fall.
Professor Roger E. Miller, Department of Chemistry, University of North Carolina, Chapel Hill, N.C. 27599 voice - 919-962-0528, fax - 919-962-2388 email address - remiller@unc.edu
UNIVERSITY OF CALIFORNIA, SANTA BARBARA, Department of Chemistry
Applications for a post-doctoral research position investigating the correlation of photofragment motion and photochemistry of carbonyl containing compounds will be considered. The research uses a recently published technique[1-3]-- quantum-state-resolved neutral time-of-flight. Projects designed for full rotational resolution of the correlated product state distribution are anticipated. In addition, organic photochemistry of cyclic ketones will be explored. The successful candidate will also have an opportunity to be exposed to: stimulated emission pumping, atmospheric chemistry and surface science (Other projects going on in the group).
Applicants should be experienced with: 1) ns pulsed lasers (excimer, yag and dye) 2) molecular beam methods 3) c.w. ring or Ti: sapphire lasers and pulse amplification therof
Experience in chemical reaction dynamics is advisable, but a jump, for example, from high resolution spectroscopy to this field would be straightforward. A strong record of publication and achievement in the general field of chemical physics is required. Since the candidate will work together with a graduate student, one-on-one teaching skills are also valuable.
Applications should be complete before May 31, 1995 in order to be considered. Application by fax can be accomplished by sending:
1) A letter of intent 2) Curriculum vitae 3) 3 letters of recommendation to FAX 001 805 893 4120
Please send duplicate original material to: Professor Alec M. Wodtke, Department of Chemistry, University of California, Santa Barbara, CA 93106
The anticipated start date for the position is negotiable before September 1 1996. The salary is negotiable between 28,000 and 30,000 per year. The position is for one year with the possibility of extension, contingent upon the development of successful and productive working relationships with the other members of the research group.
References 1. M. Drabbels, C. G. Morgan, D. S. McGuire, A. M. Wodtke, J. Chem. Phys. 102, 611 (1995) 2. M. Drabbels, C. G. Morgan, A. M. Wodtke, J. Chem. Phys. 103, 7700 (1995) 3. C. G. Morgan, M. Drabbels, A. M. Wodtke, J. Chem. Phys. In press, (1996)
FOM-INSTITUTE FOR ATOMIC AND MOLECULAR PHYSICS IN AMSTERDAM
Two postdoctoral positions are available in the group of Prof. W.J. van der Zande at the FOM-Institute for Atomic and Molecular Physics in Amsterdam, The Netherlands.
Experiments in the group concern a) detailed studies of molecular photodissociation using fast-beam photofragment spectroscopy. b) studies of stability and reactivity of polyatomic molecular ions using a novel photo-ion-photo-electron coincidence technique. c) studies into dissociative recombination in which low energy electrons neutralize molecular ions resulting in the dissociation of the neutral molecule. (in collaboration with Dr. M. Larsson, Stockholm, where the experiments are performed)
Applications will be considered for the projects (a) and (c).
Position i) Measurement of vector correlations in the photodissociation of excited molecular hydrogen giving two atoms and one (fluorescent) photon. This three-particle coincidence experiment will make it possible to know the orientation of the molecular axis in coincidence with the polarisation of the photon.
A successful candidate will have a strong record in the field of experimental molecular physics. The experimental setup combines a number of position sensitive detectors, a CW dye laser and a 5 k-10 eV ion beam. The apparatus is used on a timesharing basis with a third year graduate student.
Position ii) The determination of the cross section and product distributions in dissociative recombination (DR) is important in all planetary atmospheres, low density plasmas and interstellar space. The large ion storage ring facility in Stockholm (CRYRYING) is ideally suited for the study of dissociative recombination. At the FOM-Institute in Amsterdam position and time-sensitive detectors are being constructed. The experiments focus on systems that are important in the earth' atmosphere.
A successful candidate is willing to travel regularly between Amsterdam and Stockholm and is responsible for the detector tests an development in Amsterdam, and participates in the experiments in Stockholm and the analysis of the results. Experience with (fast) electronics and/or CCD camera technology is a pre.
The candidates will have the opportunity to be exposed to a experiments in the laser physics and femto physics groups at the FOM-Institute in shared group meetings and regular collaboration. The FOM-Institute provides an excellent working environment with very qualified support groups. The institute is situated within a 20 minute bicycle ride from the centre of Amsterdam.
Further information can be obtained from: Prof W.J. van der Zande 31-20-608 1234/ FAX 31-20-668 4106 zande@amolf.nl
Applications can be made by sending a letter of intent and a curriculum vitae (by FAX/Email or Regular Mail) to:
Prof. W.J. van der Zande, FOM-Institute FOR ATOMIC AND MOLECULAR PHYSICS, Kruislaan 407, 1098 SJ Amsterdam
Relaxation Process of the Self-Trapping Exciton in C_60 Physical Review B X. Sun, G. P. Zhang, Y. S. Ma, R. L. Fu, X. C. Shen, K. H. Lee, T. Y. Park, Thomas F. George* and Lakshmi N. Pandey Departments of Chemistry and Physics, Washington State University, Pullman, WA 99164-1046
When C_60 is photoexcited, a self-trapping exciton (STE) is formed, where the bond structure is distorted from symmetry Ih to D5d while the states Alu and A2u are pulled into the energy gap from HOMO and LUMO, respectively. A dynamical scheme is employed to simulate the relaxation process of STE, where the evolutions of both bond structure and electronic states show that the relaxation time for form STE is about 100 fs, which is much shorter than that of charge transfer in C_60.
Pulse-Width Influence on the Laser-Induced Structuring of CaF_2 (111) Appl. Physics D. Ashkenasi, H. Varel, A. Rosenfeld, F. Noack and E.E.B. Campbell* Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
We have investigated the morphology of CaF2 (111) irradiated by 790 nm laser pulses of varying pulse width (200 fs - 8 ns) with fluences above the damage threshold. Large differences can be observed which we relate to the mechanisms and dynamics of defect production in this wide band gap material. The best defined and most controllable ablation is obtained for laser pulse widths of a few picoseconds. For ns and fs pulses strong fracturing of the crystal is observed with damage outside the laser irradiated zone. This has a thermal origin for ns pulses but a non-thermal origin for pulse widths below approximately 1 ps.
Experimental Studies of Fusion and Fragmentation of Fullerenes J. Phys. B F. Rohmund, A. V. Glotov, K. Hansen and E.E.B. Campbell* Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
Energy dependencies of the fusion cross section for the collisions C_60^++C_60 , C_60^++C_70 and C_70^+ +C_70 have been measured. Fusion occurs for energies above a sharp energetic barrier VB . The fusion barrier lies in the region between 60 and 80 eV increases with increasing number of atoms participating in the collision. For energies beyond the barrier the fusion reaction cross sections increases with collision energy to a maximum value and then decreases very rapidly.
Theoretical Studies of Atomic Cluster-Cluster Collisions J. Phys. B, submitted O. Knospe*, A. V. Glotov+, G. Seifert* and R. Schmidt** * Technische Universitaet Dresden, Institut fuer Theoretische Physik, D-01062 Dresden, Germany + Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
A theoretical study on collisions between fullerenes for the systems C_60+ + C_60, C_70+ + C_60 and C_70^+ + C_70 is presented covering a wide range of collision energies (50 < E < 250 eV in the centre-of-mass frame). Quantum molecular dynamics (QMD) simulations enable a detailed insight into the underlying mechanism of the different reaction channels to be obtained. The fusion barriers for the investigated systems are determined and compared with the experimental data taking into account the finite temperature of the colliding fullerenes.
On the competition between radiative and evaporative cooling in clusters and large molecules Chem .Phys. Lett, submitted K. Hansen and E.E.B. Campbell* Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
Cluster fragmentation rates are evaluated in the presence of photon emission as a competing cooling mechanism. The consequences of radiative cooling can be parametrized in terms of a single quantity of dimension inverse time which incorporates the emissivity and the activation energy for fragmentation. For short times the decay has a powerlaw dependence whereas for long times it is exponential. The latter behaviour is caused by an exponential decrease in the rate itself.
Shell energies and deformation in large sodium clusters from evaporation spectra Phys. Rev. Lett., submitted S. Bjornholm*, J. Borggreen* and +K. Hansen *F. Chandezon *The Niels Bohr Institute, Riso, DK-4000 Roskilde, Denmark +Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
Abundances of sodium clusters resulting from evaporation in vacuo from a large ensemble are analyzed quantitatively. Electronic shell structure gives rise to oscillations in the abundance distributions with maxima at the shell closings. From this, atomic separation energies and shell energies are derived for clusters with 50 to 230 atoms. The experimental shell energies are 2 to 3 times smaller in amplitude than expected from theoretical estimates for spherical clusters. The discrepancy is understood as the result of deformations of the non-magic clusters.
From Abundance Spectra to Cluster Energies Surf. Rev. and Lett. K. Hansen Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
We derive a simple but accurate relation between evaporative activation energies and abundance in ensembles of large, hot clusters. The relation is compared with simulated abundance spectra.
Hydrogenated and Chlorinated Fullerenes Detected by "Cooled" MALDI-MS Angewandte Chemie, submitted I. Rogner and E.E.B. Campbell* Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
By using a mixture of appropriate matrix molecules it has been possible to obtain non-fragmented mass peaks of hydrogenated fullerenes by matrix assisted laser desorption ionisation mass spectrometry.
Collisional alignment and orientation of atomic outer shells, II. Quasi-molecular excitation, and beyond Phys. Rep., submitted N. Andersen^1, J.T. Broad^2, E.E.B. Campbell^4, J.W. Gallagher^3 and I.V. Hertel^4 ^1Niels Bohr Institute, Orsted Laboratory, Universitetsparken 5, DK-2100 Copenhagen. ^2Joint Institute for Laboratory Astrophysics, Univ. of Colorado and National Institute of Standards and Technology Boulder, Colorado 80309-0440, USA ^3Physics A 323 NIST, Gaithersburg, MD 20899, USA ^4Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
We present a comprehensive and critical review on atomic alignment and orientation after collisional excitation including a full reevaluation and discussion of data published to date in the literature. The present Volume II focuses on the quasi-molecular low energy regime in ion-atom and atom-atom processes. The discussion centers on experimental and theoretical data for planar scattering geometry in which the alignment and orientation parameters are determined as a function of scattering angle (particle-photon coincidence or scattering from laser excited atoms, so called third generation of experiments).
Production and Characterization of Macroscopic Amounts of Endohedral Alkali-Fullerenes in Proc. of Int. Winterschool on Electronic Properties of Novel Materials, Kirchberg 1996 R. Tellgmann, N. Krawez, I.V. Hertel and E.E.B. Campbell* Max-Born-Institut for Nonlinear Optics and Short Pulse Spectroscopy, Postfach 1107, Rudower Chaussee 6, 12474 Berlin, Germany
Thin films of C_60 in which up to 30% of the fullerenes contain an alkali ion have been produced by irradiating successive monolayers of C_60 with an ion beam of appropriate energy. The films are characterised by laser desorption mass spectrometry as well as infrared and Raman spectroscopy. The efficiency of the production method is much higher than any other available method for producing endohedral fullerenes and should be generally applicable to other endohedral species.
Rydberg series in condensed matter: a fluorescence depletion experiment Chemical Physics Letters G. Zerza, F. Vigliotti, A. Sassara and M. Chergui Inst. de Physique Experimentale, Faculte des Sciences, Universite de Lausanne, CH-1015 Lausanne, Switzerland
Depletion of the lowest Rydberg state population is used to probe Rydberg-Rydberg transitions in condensed rare gases. The n=3D4 states are observed and a quantum defect model is used to account for the observations.
Cage exit probability versus excess energy in the photodissociation of matrix-isolated HCl J. Chem. Phys. K.-H. Goedderz, N. Schwentner+ and M. Chergui* +Inst. fuer Experimentalphysik, FU berlin, D-14195 Berlin, Germany * Inst. de Physique Experimentale, Faculte des Sciences, Universite de Lausanne, CH-1015 Lausanne, Switzerland
Lifetime lengthening of Molecular Rydberg states in condensed matter in Femtochemistry, Physics and Chemistry of Ultrafast Processes in Molecular Systems, ed. M. Chergui (World Scientific, Singapore-London 1996) F. Vigliotti, G. Zerza and M. Chergui Inst. de Physique Experimentale, Faculte des Sciences, Universite de Lausanne, CH-1015 Lausanne, Switzerland
Diffusion constants of In, Ga, As ad-atoms on GaAs (001) surface from Molecular Dynamics calculations. (Mat. Science and Eng. B) A. Palma, E. Semprini, A. Talamo, N. Tomassini ICMAT-CNR Via Salaria Km 29.5, 00016 Monterotondo S. (RM), Italy
A Lifson Warshel Valence Force Field, optimized by ourself, has been used in direct MD calculations.
Extensive "ab initio" study of the HCN - OH reaction: low lying electronic states of the stationary points on the 2A' surface. J. Chem. Phys. A. Palma, E. Semprini, F. Stefani, A. Talamo ICMAT-CNR Via Salaria Km 29.5, 00016 Monterotondo S. (RM), Italy
Stable adducts have been ascertained; electron correlation energy has been estimated via MP4 and MR-DCI calculations. Electronic excitations may open some reaction channel.
Electronic structure of (BEDT-TTF)_8(XM_12O_40) radical-ion salts (X=Si, P; M=W, Mo): on the role of the anion in the band structure calculation. A. Talamo, A. Palma *, E. Semprini, N. Tomassini and B. Bellitto ICMAT-CNR Via Salaria Km 29.5, 00016 Monterotondo S. (RM), Italy
Atom-Molecule Scattering: Classical Simplicity beneath Quantum Complexity Phys. Rev. Letters to be published. A.J. McCaffery and R.J. Wilson School of Molecular Science, University of Sussex, Brighton BN19QJ U.K.
Analysis of velocity resolved state-to-state dcs data show that the scattering angle AND that of the incident trajectory, are determined by a simple vector relationship. In all cases the initial trajectory is such that the appropriate threshold or channel-opening velocity is the only perpendicular component of the incident velocity.
Probing the Intermolecular Potential: Spectroscopy or Molecular Beam Scattering? Chemical Society Reviews to be published. A.J. McCaffery School of Molecular Science, University of Sussex, Brighton BN19QJ U.K.
Review of velocity selected double resonance and its use in determining the state-to-state differential scattering cross-section and its velocity dependence.
Orientation and alignment in reactive beam collisions: recent progress. Annu. Rev. Phys. Chem. 46, 555 (1995) Fakultaet fuer Physik, Universitaet Bielefeld, Postfach 100131, 33501 Bielefeld, Germany
Recent experiments with brute force oriented and optically aligned molecules are reviewed.
The three-body photodissociation of 1,3,5-triazine J. Phys. Chem. T. Gejo, J.A. Harrison and J. Robert Huber* Physikalisch-Chemisches Institut der Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich
The photoreaction H_3C_3N_3 ->3 HCN has been studied by molecular beam photofragment translational spectroscopy at 193 - 308 nm.
A high resolution study of the NO_3 radical produced in a supersonic jet Chem. Phys. Lett. R.T. Carter, K.F. Schmidt, H. Bitto and J. Robert Huber* Physikalisch-Chemisches Institut der Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich
Using quantum beat spectroscopy we studied vibrational bands of the lowest electronic transition of cold NO_3.
Fluorescence spectra of isolated C_60 molecules in Neon and Argon matrices: Assignment of the lowest emitting states. J. Phys. B A. Sassara, G. Zerza and M. Chergui* Inst. de Physique Experimentale, Universite de Lausanne, CH-1015 Lausanne, Switzerland
Highly structured fluorescence spectra are reported for C_60 in Ne and Ar matrices in the 600-900 nm region. The spectra look quite different in the two matrices and are clearly assigned to emission of a state with T_1g and T_2g character in Ne and T_1g and G_g character in Ar on the basis of calculated oscillator strengths. The band frequencies suggest that these three lowest lying singlet states are degenerate to within 5 cm^-1 and their gas phase energy is inferred from the spectra.
Rydberg series in condensed matter: A fluorescence depletion experiment Chem. Phys. Letters F. Vigliotti, G. Zerza , A. Sassara, and M. Chergui*, V. Stepanenko+ *Inst. de Physique Experimentale, Universite de Lausanne, CH-1015 Lausanne, Switzerland +Inst. for Single crystals, Ukranian Academy of Sciences Kharkov 310001, Ukraine
Rydberg-Rydberg transitions are induced by absorption from the lowest Rydberg state of NO(3s) in Ar matrices. Its depopulation is probed by depletion of its fluorescence. Absorption bands in the 1-2 eV region are attributed to transitions to the 3p, 3d, 4s and 4p states. A quantum defect model is applied and accounts well for the observations.
Molecular beam studies of free-radical processes: photodissociation, inelastic and reactive collisions. Reports on Progress in Modern Physics, 59 (1996) 1 J.C. Whitehead Chemistry Department, Manchester University, Manchester, M13 9PL, UK
A review of molecular beam sources for free radicals and their use in photodissociation, inelastic and reactive scattering experiments.
Chemical Physics: Structure and Reactivity of Molecular Ions V. Aquilanti, D. Gerlich and P.-M. Guyon Guest Editors. Contents:
1)Pulsed-field ionization spectroscopy of CO via the E^1Pi state and NO via the B^2Pi state S.R. Mackenzie, E.J. Halse, E. Gordon, D. Rolland and T.P. Softley* Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, UK
2) Dissociation of the COS^+ ion by photoionisation. Experiment and ab-initio calculations. M.-J. Hubin-Franskin*, J. Delwiche, P.-M. Guyon, M. Richard-Viard, M. Lavollee, O. Dutuit, J.-M. Robbe and J.-P. Flament Universite de Liege, Laboratoire de Spectroscopie d'Electrons diffuses, Institut de Chimie, B6c, Sart Tilman par B-4000 Liege 1, Belgium
3) Experimental study of the dissociation of selected internal energy ions produced in low quantities: application to N_2O^+ ions in the Franck-Condon gap and to small ionic water clusters M. Richard-Viard*, A. Delboulbe and M. Vervloet LURE, Bât. 209d, Universite Paris-Sud, 91405 Orsay Cedex, France
4)An electron impact ionization slit-jet apparatus for laser absorption spectroscopy. T. Ruchti, A. Rohrbacher, T. Speck, J.P. Connelly, E.J. Bieske and J.P. Maier* Institut für Physikalische Chemie, Universität Basel, Klingelbergstr. 80, CH-4056 Basel, Switzerland.
5) State-selected charge transfer reactions studied with synchrotron radiation in a guided beam apparatus: the Ar^+(^2P_3/2 or ^2P_1/2) + O_2 reaction below a few eV collision energy. O. Dutuit*, C. Alcaraz, D. Gerlich, P.M. Guyon, J. Hepburn, C. Metayer-Zeitoun, J.B. Ozenne, M. Schweizer and T. Weng Laboratoire de Physicochimie des Rayonnements, URA 75, Bât. 350, Universite Paris-Sud, 91405 - Orsay Cedex, France
6) Charge transfer and atomic Rearrangement in collisions of Ar^+ (^2P_1/2,3/2) with H_2 measured with a new PEPICO apparatus. C.J.G.J. Uiterwaal, J. van der Weg, J. van Eck, P.A. Zeijlmans van Emmichoven, and A. Niehaus* Dept. Atomic and Interface Physics, Debye Insitute, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
7) Autoionization of the collisional complexes of metastable Neon and H_2, D_2, or HF B. Brunetti, S. Falcinelli, A. Sassara, J. de Andres, F. Vecchiocattivi* Dipartimento di Chimica, Universita di Perugia, 06123 Perugia, Italy
8) Electronic excitation processes in the collisional system Na(3^2S) + Rb^+ (^1S) rightarrow Na^* + Rb^+(^1S) by crossed molecular beams in the 0.1-5.0 KeV energy range. T. Romero, J. De Andres, M. Alberti, J.M. Lucas and A. Aguilar* Departament de Quimica Fisica, Faculatat de Quimica, Universitat de Barcelona, C/. Marti i Franques, 1; 08028 Barcelona (Spain)
9) Charge transfer of krypton ions with methane molecules from thermal energy to 10 eV P. Tosi*, C. Delvai, D. Bassi, O. Dmitriev, D. Cappelletti, F. Vecchiocattivi INFM-Dipartimento di Fisica, Universita di Trento, 38050 Povo, Trento, Italy
10) Differential cross sections, measured with guided-ion-beams. Application to N^++N_2 and C_2H_2^+ + C_2D_4 collisions S. Mark and D. Gerlich* Department of Physics, Technical University Chemnitz-Zwickau D-09107 Chemnitz, F.R. Germany
11) Reactions of H^-, D^- and HD^- transfer between ethylene cation and propane CH_3CD_2CH_3: a study of kinetics using state selected reactants. O. Dutuit, H. Palm, D. Berthomieu and Z. Herman* J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejskova 182 23 Prague 8, Czech Republic
12) Deuteration of positive hydrogen cluster ions H^+_5 to H^+_17 at 10 K W. Paul, S. Schlemmer, B. Lücke and D. Gerlich* Department of Physics, Technical University Chemnitz-Zwickau D-09107 Chemnitz, F.R. Germany
13)Photodissociation, charge- and atom-transfer processes in electronically excited states of N_3^+ F.R. Bennet, J.P. Maier, G. Chambaud and P. Rosmus* Universite de Marne-la-Vallee; F-93166 Noisy-le-Grand, France
14) Ab initio calculation towards modeling of ionic rare gas clusters F.X. Gadea and I. Paidarova Laboratoire de Physique Quantique, UA 505 du CNRS. Universite Paul Sabatier, 118 route de Narbonne, 31062 Toulouse cedex, France
15)Simulation of the Ar_3^+ absorption spectrum using Molecular Dynamics. A. Bastida and F.X. Gadea* Laboratoire de Physique Quantique, UA 505 du CNRS. Universite Paul Sabatier, 118 route de Narbonne, 31062 Toulouse cedex, France
16) Range and strength of interatomic forces: dispersion and induction contributions to the bonds of dications and of ionic molecules. V. Aquilanti, D. Cappelletti and F. Pirani* Dipartimento di Chimica, Universita di Perugia, 06123 Perugia, Italy
17)Theoretical picture of dynamics of autoionization event in He(2^3S)-H_2 Penning ionization: collision energy dependence J. Vojtik* J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague 8, Czech Republic
18)Diabatic excited states of the (HeH_2)^+ molecular ion for the charge exchange-excitation reaction : He^++H_2 rightarrow HeH^+ + H*. V. Sidis* Laboratoire des Collisions Atomiques et Moleculaires (Unite de Recherche Associee au CNRS 281) Universite de Paris-Sud, Bât. 351, 91405 Orsay Cedex, France.
19) Theoretical investigation of the Ar^+(^2P_J) + H_2 rightarrow ArH^+ + H reaction: semiclassical coupled wavepacket treatment M. Sizun*, F. Aguillon, V. Sidis, V. Zenevich, G.D. Billing and N. Markovic Laboratoire des Collisions Atomiques et Moleculaire, URA du CNRS n 281, Bât. 351, Universite Paris XI, 91405 Orsay cedex, France
20) A quasiclassical and approximate quantum mechanical study of the intramolecular isotope effect in proton transfer elementary reactions: the Ne + HD^+ rightarrow NeH^+ (NeD^+) +D(H) system at low and moderate collision energies (0.02-0.77 eV) M. Gonzalez*, R.M. Blasco, X. Gimenez, A. Aguilar Departament de Quimica Fisica, Faculatat de Quimica, Universitat de Barcelona, C/. Marti i Franques, 1; 08028 Barcelona (Spain)
21) Semi-classical treatment of chemical reactions G.D. Billing* and N. Markovic Dept. of Chemistry, H.C. Ørsted Institute, University of Copenhagen, 2100 Copenhagen, Denmark
22)Theoretical Charge Transfer Cross-sections for H+ + HCl (X^1Sigma^+) rightarrow H(^2S_g) + HCl(A ^2Sigma^+) II. Classical path trajectory calculations P.J. Kuntz*, I. Paidarova, R. Polak Hahn-Meitner-Insitut Berlin GmbH; Glienicker Str. 100, D 14109 Berlin, Germany
23) Alternative Sturmian bases and momentum space orbitals: an application to the hydrogen molecular ion. V. Aquilanti, S. Cavalli*, C. Coletti and G. Grossi Dipartimento di Chimica, Universita di Perugia, 06123 Perugia, Italy
FEMTOCHEMISTRY Ultrafast Chemical and Physical Processes in Molecular Systems Proceedings of Femtochemistry: The Lausanne Conference Lausanne, Switzerland 4 - 8 September 1995 edited by Majed Chergui, Universite de Lausanne, Switzerland Publisher: World Scientific Publishing Co. Pte. Ltd (Singapore) 700pp (approx.)
This book highlights the latest experimental and theoretical developments in the field of femtochemistry, with papers describing the physics and chemistry of ultrafast processes in small molecules, complex molecular systems, clusters, biological systems, solids, matrices, liquids and at surfaces and interfaces. The recent developments in frequency-domain studies of femtodynamics are also presented. In addition, the latest achievements in femtosecond control of chemical reactions are presented, together with the newest techniques in real-time probing of reactions such as ultrafast x-ray or electron diffraction. The papers are rich in references giving a clearcut state-of-the-art of the topics being discussed. The book should be a valuable tool to all persons in the field and to young scientists.
Contributors include: A H Zewail, J Jortner, V S Letokhov, J Manz, R S Berry, C Wittig, K B Eisenthal, A W Castleman Jr., J T Hynes, W H Gadzuk, R Kosloff, S Mukamel, K R Wilson; G Fleming, D Wiersma, K Yoshihara, V Sundstr"om, A Apkarian, N Scherer, A Myers, R Schinke, J R Huber, R B Gerber, G Gerber and P M Champion.
Readership: Chemists, physicists, biophysicists and materials scientists.
1. Symposium on Molecules in Astrophysics: Probes and Processes Leiden, The Netherlands, July 1-5 1996
This symposium is organized by the IAU working group on Astrochemistry (D.A. Williams (chair); E.F. van Dishoeck (secretary)) and will cover various topics in molecular astrophysics, including Basic molecular processes; Molecules in star-forming regions; Physics and chemistry of shocks, jets, PDR's and masers; Molecules in circumstellar disks; solar nebula connection; Comets and the Jupiter impact; Diffuse and translucent clouds; Molecules in nearby galaxies and at high redshift; Chemistry in circumstellar envelopes around late-type stars.
For further information and preliminary registration, send e-mail to: symp96 @ strw.leidenuniv.nl with the subject line: send-info. See also WWW http://www.strw.leidenuniv.nl/ symp96 or contact Symposium 1996, Leiden Observatory, P.O. Box 9513, 2300 RA Leiden, The Netherlands. FAX +31-71-275819 (+31-71-5275819 after October 10 1995)
2. Twelfth International Symposium and School on High Resolution Molecular Spectroscopy Petergof (near St.Petersburg, Russia), 1996 July 1-5th
Conference Chairs: A.I. Nadezhdinskii, General Physics Institute (Moscow); Yu.N. Ponomarev, Institute of Atmospheric Optics (Tomsk); L.N. Sinitsa, Institute of Atmospheric Optics (Tomsk). Scientific Program: High resolution spectroscopy of molecules, including radicals, ions, complexes; Theory of molecular system; Spectroscopy of intermolecular interactions in gases; Experimental techniques for obtaining high resolution molecular spectra; Applications in atmospheric and planetary studies, astrophysics. Local Organizer:M.V. Tonkov: St. Petersburg State University, Institute of Physics, 1 Ulyanovskaya st., 198904 Petergof, Sankt-Petersburg, Russia Tel.: 7-812-4284462 Fax: 7-812-4286649 E-Mail: TONKOV@PHIM.NIIF.SPB.SU
3. INTRA- AND INTER-MOLECULAR PHOTOPROCESSES OF CONJUGATED MOLECULES Riccione (Italy), July 14-18, 1996
Organized by Divisione di Chimica Fisica, Societa Chimica Italiana, jointly with Division de Chimie Physique de la Societe Française de Chimie, Deutsche Bunsen Gesellschaft für Physikalische Chemie, Faraday Division of the Royal Society of Chemistry. Scientific Program: The Conference aims to cover a wide range of subjects related to Photochemistry. The focus of the Meeting will be a comprehensive theoretical and experimental approach to the photoreaction pathways and excited state properties of a variety of compounds cheracterized by a conjugated framework.
For information, contact: Prof. Giorgio Orlandi; Dipartimento di Chimica "G. Ciamcian"; Universita di Bologna, Via Selmi,2 - 40126 Bologna, Italy. Phone: (39)-51-259472; Fax: (39)-51-259456; e-mail: mc8a@icineca.cineca.it 4. American Conference on Theoretical Chemistry 1996 Park City, Utah, July 21-25, 1996
The 1996 American Conference on Theoretical Chemistry will be held from the morning of Sunday, July 21 through the afternoon of Thursday, July 25, 1996 at the Olympia Park Hotel in Park City, Utah. In- person registration and a reception will be held on Saturday afternoon and evening. The dates have been chosen to allow participants to take advantage of inexpensive airfares that require one to stay over Saturday night. Park City sits at an elevation of 7,000 ft. on the East side of the beautiful Wasatch Mountains approximately 60 km from Salt Lake City. Nearby there are golf courses, hot air balloon rides, biking trails, numerous restaurants and shops, and the Wasatch and Uinta Mountains (10,000 -13,000 ft) for hiking, sightseeing, horseback riding, and fishing. The weather is likely to be warm, with daytime highs in the 80's (F), but nightime lows may drop to 40 F. Park City is easily reached by flying to Salt Lake City and taking a commercial shuttle van or renting a car and driving by way of Interstate Highway 80. As the conference date approaches, you will be able to obtain up- to- date information on how to register and how to make a room reservation, and eventually including the schedule of presentations, by sending email to ACTC96@chemistry.utah.edu. Your email message will automatically cause the most recent version of this message to be sent to you via return email. This electronic distribution will be the primary mechanism for announcing ACTC96, so please help spread the word to your friends and colleagues. When you send email to this address, do not include any message because all such information is ignored. Your email is used simply to automatically trigger the current reply. If you need additional communication, send email to Jack Simons at the address below. Updated: December 1, 1995 Conference Organizer: Jack Simons, simons@chemistry.utah.edu
5. 11th European Conference on Dynamics of Molecular Collisions, MOLEC XI Nyborg (Denmark), 1 September - 6 september, 1996
The first announcement concerning Molec XI is available and can be obtained by sending a request by e-mail or FAX (see below). The program will contain sessions in the following areas: Surface scattering, Reaction dynamics, Unimolecular reactions, Reactions in solution, Laser chemistry and Reactions in clusters. The second announcement will appear in February 1996. The conference will be held at the conference center Nyborg Strand located near Nyborg on the island of Fyn. The conference fee will be approximately 5000 D.kr. This covers registration fee, single room, all meals from dinner Sunday to lunch Friday, book of abstracts and an excursion.
Tentative list of speakers: F. Aguillon, Paris; K. Bergmann, Kaiserslautern; F.A. Gianturco, Rome; N.E. Henriksen, Copenhagen; R. D. Levine, Jerusalem; K. V. Mikkelsen, Copenhagen; S. Nordholm, Goteborg; P. J. Rossky, Austin; S. Stolte, Amsterdam; T. Truong, Salt Lake City; J. Wolfrum, Heidelberg; E.J. Baerends, Amsterdam; F. Besenbacher, Aarhus; A. Kuppermann, Caltech; A. Lifshitz, Jerusalem; D.E. Manolopoulos, Nottingham; W.H. Miller, Berkeley, F. Pirani, Perugia; A.J. Stace,Sussex, J.P. Toennies, Göttingen; J.C. Tully, Bell Labs; A.H. Zewail, Caltech. Chairman: Gert D. Billing, Department of Chemistry, H. C. Ørsted Institute, University of Copenhagen, 2100 Copenhagen Ø, Denmark Secretary: Mette Fogh Kolmos, Chemistry Laboratory III, Phone: 4535320245; FAX: 4535320259; e-mail MOLEC96@hcocvx.uni-c.dk H. C. Ørsted Institute, 2100 Copenhagen Ø, Denmark Phone: 4535320252; FAX: 4535320259; e-mail gbl@hcocvx.uni-c.dk
6. 14th International Symposium on Gas Kinetics Leeds (UK), 7-12 September, 1996.
Meeting opens on the morning Sunday 8th September (the idea being that this should help with travel costs through the use of Apex flights).
Key-note Speakers: M Alden, P Casavecchia, AW Castleman, FL Eiesle, H Hippler, WM Miller, C Morley, DM Neumark, B Rowe and SK Scott. The 1996 Polanyi lecture will be presented by JP Simons. Scientific Programme: Unimolecular Reactions: Dynamics, Kinetics and Theory Bimolecular Reactions: Dynamics, Kinetics and Theory, Complex and Non-linear Processes, Atmospheric Chemistry, Reactions in Condensed Phases, Measurement Techniques
Organising Committee: Dr RA Cox, Dr JC Whitehead, Dr M Brown, Dr M Brouard, Dr M Levy, Professor MJ Pilling, Dr J Plane.
Accomodation: Devonshire Hall, Leeds (a variety of accomodation options from study bedrooms to en-suite rooms are available). Fees: Registration 230 pounds (including abstracts, meals, afternoon excursion, conference banquet); Accomodation 250 pounds. Significantly reduced fees will be available for students.
It is not too late to submit brief abstracts (1 side A4) for oral or poster presentations. Please fax (44 113 233 6565) or email (Gas.Kinetics@chem.leeds.ac.uk) your abstract by 2 Feb 1996. Camera ready abstracts will not required until early Summer. To register for the conference and to receive the second circular please contact: Ms Elaine Goodrich, 14th International Symposium on Gas Kinetics School of Chemistry University of Leeds Leeds LS2 9JT UK Fax: (44) 113 233 6565 e-mail: Gas.Kinetics@chem.leeds.ac.uk Further information is available in the World-Wide-Web at URL http://www.chem.leeds.ac.uk/conferences/kinetics96.html
7. Summer School on Molecular Reaction Dynamics and Intramolecular Dynamics Oxford (U.K.), 8-18th September 1996
The 1996 Charles Coulson Summer School in Theoretical Chemistry will be held at St Edmund Hall Oxford, UK. The topic will be Reaction Dynamics and Intramolecular Dynamics, with lectures given by M.S. Child, J.H. Hutson, C. Leforestier, D.E Manolopoulos and W.H. Miller. The school is primarily designed for graduate students and postdocs who need not be theoretical specialists. Opportunities will be available for oral and poster presentations. Please register with Prof M.S. Child, Physical and Theoretical Chemistry Laboratory, South Parks Rd. Oxford, UK OX1 3QZ. Fax +44 1865 275410. Email CHILDMS@VAX.OX.AC.UK. to receive further announcements.
8. The 14th International Conference on High Resolution Molecular Spectroscopy Prague, Czech Republic, September 9-13, 1996
Scientific program: There will be 12 invited lectures. Contributions, which will be presented partly as posters and partly as contributed lectures, are invited in the fields of: Experimental techniques for observing high resolution rotational, vibrational, or electronic spectra of molecules (radicals, ions, complexes, clusters, ...) in the gas phase or in matrices. Theory assisting the prediction, simulation, and interpretation of such spectra. Applications in related fields such as the physics and chemistry of the atmospheres of planets and cool stars, the physics and chemistry of the interstellar medium, chemical kinetics, etc. Final registration and submission of abstracts: before May 1st 1996. The conference has a home page on the World Wide Web with URL http://wcpj2.chemie.uni-wuppertal.de/praha96/prague.html This page will be used to provide up-to-date information. For information contact: PRAHA96, c/o Dr. Vladimir Spirko Academy of Sciences of the Czech Republic J. Heyrovsky Institute of Physical Chemistry Dolejskova 3, CZ-18223 Praha 8, Czech Republic E-mail: praha96@jh-inst.cas.cz
9. SECOND INTERNATION SYMPOSIUM ON THEORY OF ATOMIC AND MOLECULAR CLUSTERS Fontana, Wisconsin, USA, September 15-20, 1996
The Second International Symposium on Theory of Atomic and Molecular Clusters (TAMC-2) will be held September 15-20, 1996, at the Abbey on Lake Geneva Resort in Fontana, Wisconsin, USA.
The goal of the Symposium is to examine the state of the art in the field of cluster theory in terms of both conceptual and technical advances and applications. It will include invited lectures, poster sessions and roundtable discussions. A limited number of overview lectures will be devoted to the most recent and important advances in the experimental studies of clusters.
PARTIAL LIST OF INVITED SPEAKERS AND ROUNDTABLE DISCUSSION PANELISTS J.A. Alonso, University of Valladolid, Spain; Z. Bacic, New York University, USA; R.S. Berry, University of Chicago, USA; V. Bonacic-Koutecky, Humboldt-Universitat,Germany; E.A. Carter, University of California, Los Angeles, USA; P. Fantucci, Universita di Milano, Italy; M.E. Garcia, Freie Universitat, Germany; R.B. Gerber, Hebrew University, Israel; D.H.E. Gross, Hahn-Meitner Institut, Germany; P.A. Hackett, National Research Council, Canada; H. Hakkinen, University of Jyvaskyla, Finland; W.L. Hase, Wayne State University, USA; K.M. Ho, Iowa State University, USA; M.F. Jarrold, Northwestern University, USA; P. Jena, Virginia Commonwealth University, USA; J. Jortner, Tel Aviv University, Israel; I. Ohmine, Nagoya University, Japan; G.M. Pastor, Universite Paul Sabatier, France; K. Raghavachari, Bell Laboratories, USA; A. Rosen, University of Goteborg, Sweden; N. Russo, Universita della Calabria, Italy; D.R. Salahub, Universite de Montreal, Canada; D.J. Wales, Cambridge University, UK; L. Woste, Freie Universitat, Germany; C. Yannouleas, Georgia Institute of Technology, USA
Registration and a welcome reception will be held on Sunday, September 15, 1996 between 5 p.m. and 9 p.m. The Symposium will end around noon on Friday, September 20, 1996.
REGISTRATION Participants are encouraged to register for the symposium as early as possible. The registration fees (in US $) are:
Before May 20, 1996 (Reduced Registration Fee) Regular $ 200; Graduate Students/Postdocs $ 125
After May 20, 1996 Regular $ 275; Graduate Students/Postdocs $ 200
The registration fee together with the hotel deposit (see below) should be paid in US dollars in the form of a check drawn on a US bank and made payable to TAMC-2. A cashier's/banker's check in US dollars is also acceptable. The check should be mailed together with the enclosed registration/hotel reservation form (see below) to the address shown on the form.
ABSTRACTS Abstract(s) of your contribution(s) should be prepared in accordance with the following format. The abstract should be printed/typed in a font which is close in size to 12 point of Times. It should fit into a space of 9.0"(22.8 cm) x 6.0"(15.2cm). The specification for the top margin is 1.0"(2.5 cm) and for the left margin 1.5"(3.8 cm). Two original hard copies of the abstract should be mailed to
Dr. S. Srinivas Chemistry Division Argonne National Laboratory Argonne, IL 60439, USA
All abstracts should be received not later than June 20, 1996. Please indicate separately whether you prefer an oral or a poster presentation. You will be notified if your contribution has been selected for oral presentation. Inform us if you need a formal letter of acceptance of your abstract for visa purposes.
FINANCIAL ASSISTANCE We expect to be able to provide partial support to a limited number of graduate students and postdocs who otherwise would not be able to attend. A request for a stipend should be accompanied by an abstract of your contribution and should be received not later than May 20, 1996. Those who will be granted the stipend will be informed by June 30, 1996.
GENERAL INFORMATION The Abbey on Lake Geneva Resort is located in Fontana, Wisconsin, on the southwestern shore of Lake Geneva. It is approximately 80 miles (128 km) northwest of Chicago, Illinois, and approximately 50 miles (80 km) southwest of Milwaukee, Wisconsin.
The expected average daily maximum and minimum temperatures for September are 72 F (22 C) and 55 F (13 C), respectively.
ACCOMMODATIONS All participants will be accommodated at the Abbey on Lake Geneva Resort. The special group rate is $120 per person per night in a single occupancy room and $80 per person per night in a double occupancy room. These rates include breakfast,lunch and dinner. There is no additional cost of accommodation for an accompanying person if a second meal package is not requested. If a second meal package is requested, the rate is that of a double occupancy room, i.e., $160 per night.
To guarantee reservation at the special group rate, a one-night deposit is required. The deposit should be paid in the same form as the registration fee. The two payments can be made in the form of a single check payable to TAMC-2, which has to be returned together with the registration/hotel reservation form by May 20, 1996 to the address shown on the form.
ARRIVAL/AIRPORT TRANSPORTATION Two major airports serve the Lake Geneva area -- the Chicago O'Hare International Airport and the Mitchell Field Airport at Milwaukee, Wisconsin. Details of transportation from the two airports to the Abbey on Lake Geneva will be given in the third circular.
IMPORTANT DEADLINES Reduced registration Fee May 20 , 1996 Hotel reservation May 20, 1996 Abstract submission June 20, 1996
Inquiries should be directed to the Chairman of the Organizing Committee
Julius Jellinek, Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439, USA, Tel: (USA) 708-252-3463, FAX: (USA) 708-252-4993 E-mail: JJTAMC2@anlchm.chm.anl.gov
10. INTERNATIONAL DISCUSSION MEETING ON UNIMOLECULAR REACTIONS Evangelische Akademie Tutzing, Germany, October 21 - 24, 1996,
Theoretical and experimental studies of unimolecular reactions in gases and in condensed phases, their microscopic dynamics and their macroscopic appearance, will be discussed. Special topics of the meeting are: statistical and dynamical treatments of unimolecular processes, state-specific determinations of unimolecular reaction lifetimes and energy partitioning, collisional energy transfer, unimolecular reactions in complex systems with various activation schemes, complex-forming bimolecular reactions of neutral and ionic species, unimolecular processes in the gas-liquid transition range and in liquids. The meeting is organized by F.F. Crim (Madison) and J. Troe (Göttingen). Speakers and discussion leaders are: B. Abel (Göttingen), T. Baer (Chapel Hill), J. Barker (Ann Arbor), J. Brauman (Stanford), D. Clary (Cambridge), H. Dai (Philadelphia), G. Flynn (New York), L. Harding (Chicago), W. Hase (Detroit), H. Hippler (Karlsruhe), O. Kajimoto (Kyoto), S. Klippenstein (Cleveland), K. Luther (Göttingen), W. Miller (Berkeley), C.B. Moore (Berkeley), E. Nikitin (Haifa), S. Nordholm (Göteborg), M. Pilling (Leeds), M. Quack (Zürich), T. Rizzo (Lausanne), J. Schatz (Chicago), J. Schroeder (Göttingen), I. Smith (Birmingham), A. Wagner (Chicago), C. Wittig (Los Angeles), J. Wolfrum (Heidelberg), K. Yoshihara (Okazaki). Those who intend to contribute should be submit an abstract (no more than 150 words) before June 15, 1996. Applications for participation should also arrive before June 15, 1996. Further details can be obtained from Prof. Dr. J. Troe, Institut für Physikalische Chemie, Universitat Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany, Tel. +49-551-393121/22 or Fax: +49-551-393150, to whom abstracts and applications should be sent.
11. Stereodynamics of Chemical Reactions Center of Interdisciplinary Research (ZIF), University of Bielefeld, Bielefeld, Germany; December 1 - 5, 1996.
This conference follows in scope and format the former meetings on Stereodynamics held in Jerusalem (1986), Bad Honnef (1988), Santa Cruz (1990), Assisi (1992) and Gif sur Yvette (1994). The Conference is devoted to the following areas: (a) Stereocontrol of reactive collisions in the gas phase, on surfaces and in liquids. (b) Brute force oriented molecules: collisions, spectroscopy, theory. (c) Effects of molecular orientation and alignment in non-reactive collisions. (d) Polarization in photo-dissociation and photo-initiated reactions in Van der Waals complexes. (e) Collisions of orbitally aligned atoms. (f) In-situ measurements of orientation and alignment. (g) New techniques. The size of the Conference is limited to around 60 participants. It comprises invited lectures and poster sessions in a spacious surrounding with ample time for discussion. The Scientific Committee includes: R. Anderson (USA), V. Aquilanti (I), A. Gonzales-Urena (E), R. Grice (UK), R.D. Levine (Israel), H.J. Loesch (D), D. Parker (NL), J. Simons (UK), B. Soep (F), S. Stolte (NL), R. Vetter (F).
Please contact: H.J. Loesch, Universitat Bielefeld, Fakultat fur Physik, Postfach 100131, D-33501 Bielefeld, Germany. e-mail: LOESCH@PHYSF.UNI-BIELEFELD.DE FAX: (49) (0)521 106 6046
12. The 9th International Congress of Quantum Chemistry Emory University, Atlanta, Georgia (USA); June 9-14, 1997.
This is the largest international conference in quantum molecular sciences and held every three years around the world, this one following the 8th Congress at Prague in 1994. The Congress topics include (I) Methods: Parallel Computation-quantum chemistry code implementation, Density functional theory, Perturbation and Coupled Cluster, Multi- reference Approaches, Basis Sets and Corrections for Inadequacy, Hybrid Methods (QM/MM, etc.); (II) Applications: Photochemistry, Non-adiabatic Effects, Electronic Structure in Condensed Media, Intermolecular Interactions, Spectroscopy, Chemical Reactivity, Organic Reactions, Homogeneous Catalysts, Solid Surface and Heterogeneous Catalysis, Materials and Solid States, Biological Applications, Dynamics of Nuclear Motion, Statistical Applications, Industrial Applications. Plenary speakers are Reinhart Ahlrichs, Michele Parrinello and Martin Quack. Invited speakers include P. Armentrout, M. Bowers, S. Ceyer, E. Heller, J. C. Light, N. Makri, V. Bondybey, L. S. Cederbaum and many others. Organizing committee is Kieji Morokuma (Chair), Ernest R. Davidson and Henry F. Schaefer. Several satellite meetings are planned on Density-Functional Theory and Computation; Theoretical Chemistry in Biology - From Molecular Structure to Functional Mechanisms; Structural and Mechanistic Organic Chemistry; Coupled Cluster Theory and Electron Correlation Workshop; Interplay between Theory and Experiment in Molecular Spectroscopy and Dynamics. For the first circular and other information, visit the WWW site http://www.chem.emory.edu/icqc/icqc.html, send e-mail to icqc@euch4g.chem.emory.edu, Fax to Morokuma at (1)404-727-6586, or mail to Keiji Morokuma, Department of Chemistry, Emory University, Atlanta, GA 30322, USA.
13. Optical, electric and magnetic properties of molecules Cambridge University, UK; 10-13 July 1997.
This conference is being organised to celebrate the career of Professor A. David Buckingham. Those interested in attending should write to Prof. David C Clary, Department of Chemistry, University College London, London WC1H OAJ, UK or Professor Brian J. Orr, School of Chemistry, Macquarie University, NSW 2109, Australia.
14. 1997 Conference on the Dynamics of Molecular Collisions Gull Lake, Minnesota USA, July 20-25, 1997
The Dynamics of Molecular Collisions (DMC) Conference is the major conference in the United States on the topic of molecular collisions and related phenomena. This conference was begun as a Gordon Conference in 1965, and has been held every two years since then. In recent years it has been held at major resorts around the country, most recently (1995) at the Asilomar Conference Center in Pacific Grove, California (Dan Neumark, chair). The Asilomar Meeting attracted over 300 participants from around the world, with 23 invited talks and about 235 poster talks.
The 1997 Conference will be held at Cragun's Resort on Gull Lake near Brainerd Minnesota. This resort is located in the central lakes district of Minnesota in a region of beautiful pine forests and many thousands of lakes. The conference was last held at Cragun's in 1983. Since then the resort has been substantially improved, with increased space for poster and oral talks, modernized sleeping rooms, and many new recreational facilities including an indoor sports center. In addition, Cragun's has its own beach, sail and motor boats, tennis courts and golf course, and nearby are hiking and biking trails and other attractions. Cragun's is about a 2.5 hour drive from the Minneapolis airport; we plan to arrange for ground transportation to and from the conference. Alternatively, if you fly on Northwest airlines to Minneapolis, the extra fare to fly to the Brainerd airport is about $40 roundtrip.
The scientific program will be international and will cover all aspects of molecular collisions, including reactive and nonreactive collisions, and related photochemistry and surface processes. Both experimental and theoretical topics will be included. Suggestions for specific areas or speakers are welcome and should be addressed to the conference chair.
The meeting will follow a Gordon Conference format, i.e., morning and evening sessions from Monday morning to Friday noon, with afternoons free for informal discussions, recreation, and relaxation. Time will be set aside for formal presentation of poster papers and long discussion periods after invited talks.
The conference program committee consists of chair George C. Schatz, Northwestern University and vice-chair James J. Valentini, Columbia University. Further details will be announced in the fall of 1996.
This conference has generally included at least one representative of almost every major experimental and theoretical group studying molecular collision dynamics in the United States, as well as a very good representation from foreign groups. We hope that you will be able to attend the 1997 meeting and urge you to mark off the week of July 20-25 on your calendar now.
IMPORTANT INFORMATION: If you are interested in receiving additional information concerning this conference (such as the second announcement), please send your name, address, phone, fax and email to: George C. Schatz, Department of Chemistry, Northwestern University, Evanston IL 60208-3113, phone: 1-847-491-5657, fax: 1-847-491-7713, email: dmc@chem.nwu.edu
Web site for conference: http://www.chem.nwu.edu:80/ schatz/index.html (This web site repeats the information in this announcement right now, but it will eventually contain information about speakers, lists of attendees, information about Cragun's, registration and housing forms, etc.)
15. 1997 TWENTY-THIRD INTERNATIONAL SYMPOSIUM ON FREE RADICALS Taellberg, Dalarna, Sweden, August 17-22, 1997
Organizing committee: Mats Larsson (chairman), Physics Department I, KTH, Stockholm (larsson@atom.kth.se) Bosse Lindgren, Physics Department, Stockholm University, Stockholm Lars-Erik Berg, Physics Department I, KTH, Stockholm (berg@atom.kth.se) Sven Mannervik, Atomic Physics, Stockholm University, Stockholm
The 1997 Twenty-third International Symposium on Free Radicals will be held Aug 17- 22, 1997 at Green Hotel, Taellberg, Dalarna, Sweden. The Symposium will address the physical and chemical properties of FREE RADICALS, including paramagnetic molecules, ions, molecules in excited states and short-lived species.
A wide variety of topics will be coverd by papers and discussions: Spectroscopy of radicals; Dynamics and reaction kinetics, theory and experiment; Structure of free radicals; Molecular ions and molecules in excited states; Free radicals and atmospheric chemistry; Interstellar spectroscopy and chemistry; Free radicals as reaction intermediates; Free radicals in applied research; Production and observation techniques.
There will be several invited talks covering the listed topics above. Contributed papers will be presented in poster sessions with a brief introduction by the author.
The conference will be held at Green Hotel, Taellberg near Lake Siljan in Dalarna, Sweden. It is located 280 km from Stockholm. Taellberg is easy accessible from Stockholm (3 1/2 hours by train or car, 40 min by flight to Dala airport and then car transportation). This part of Dalarna is one of the most attractive tourist sites in Sweden. There are many activities and places of interest around Lake Siljan.
Further information can soon be obtained from the conference home page on http://www.atom.kth.se
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