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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.
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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:
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RICE UNIVERSITY-CHEMISTRY DEPARTMENT AND RICE QUANTUM INSTITUTE
A postdoctoral position will be available at Rice University in January 1997 to study the effects of molecular orientation on electron transfer. Preliminary experiments suggest that different negative ions can be formed by impact at different ends of the molecule, and a new beam machine has been constructed to identify the negative ions. The oriented molecule beam and a fast atom beam collide inside a dual time-of-flight mass spectrometer and both ions are detected in coincidence.
Applicants are sought with extensive experience in molecular beams and mass spectrometry. Please send a resume and several letters of recommendation to Phil Brooks, Chemistry Department (MS 60), Rice University, 6100 Main Street, Houston, TX 77005-1892. FAX 713-285-5155 email: brooks@pchem1.rice.edu. Rice University is an equal opportunity/affirmative action employer.
UNIVERSITY OF BERN, SWITZERLAND-POSTDOCTORAL POSITION
A postdoctoral position is available in the research group of Ernest Kopp, in the Division Mass Spectrometry and Space Research of the Physics Institute of University of Bern. The current projects are: 1. In-situ measurements of stratospheric trace gases using active chemical ionization mass-spectrometry and related laboratory measurements of ion-molecule reaction rate constants. 2. Dynamic and static calibration of two mass-spectrometers in the Rosetta space mission for the investigation of the composition of comet Wirtanen. The position is available from November 1996. A later starting date is negotiable. Interested applicants should send their application to Prof. Ernest Kopp, Physikalisches Institut, Sidlerstrasse 5, CH-3012 Bern, Switzerland. The e-mail address is: "kopp@phim.unibe.ch".
UNIVERSITY OF MASSACHUSETTS, THEORETICAL MOLECULAR DYNAMICS
A postdoctoral position is currently open in my group, starting immediately. Over the past decade we have used a number of quantum and classical techniques to study the dynamics of several fundamental reactions on surfaces. Funding is available for several projects. One project involves the modeling of Eley-Rideal reactions, in which a gas phase atom or molecule reacts with a surface-adsorbed species. Studies of recombinative desoption are also planned. Another project investigates the dissociative adsorption of molecules on metal surfaces. Methods are being developed to include the effects of finite surface temperature in these reactions. Quantum methods are usually used to couple the reactants to the lattice phonons.
The position is available for up to three years, starting at $27,500 per year for the first year, plus full benefits (medical/dental).
Please send inquiries and three letters of recommendation to: Bret E. Jackson, Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 USA, 413-545-2583 office, 413-545-4490 FAX, jackson@tyrone.chem.umass.edu
UNIVERSITE DE MONTREAL, Departement de chimie
We (Benoit Roux and Tucker Carrington Jr) are looking for a postdoctoral fellow to work on the development and application of mixed quantum-classical methods. We are combining state of the art quantum mechanical tools (discrete variable representations and time dependent and time independent iterative methods) and classical trajectories to study molecules and reacting systems for which quantum effects are important but which are too big to study with a purely quantum mechanical approach. We have applied adiabatic and TDSCF mixed quantum-classical methods to calculate a proton transfer rate for acetylacetone. Experience with quantum and/or classical dynamical methods is important. The starting date is flexible.
The Universite de Montreal has a strong theory group and is located in an attractive, interesting city.
Interested candidates should contact either Tucker Carrington or Benoit Roux. Tucker Carrington Jr., Departement de chimie, Universite de Montreal, Case postale 6128, succursale Centre-ville, Montreal (Quebec) H3C 3J7, Canada, tel: (514) 343-2123, fax: (514) 343-7586, e-mail: tucker@ere.umontreal.ca UNIVERSITY OF UTAH, DEPARTMENT OF CHEMISTRY
I anticipate a postdoctoral position being available starting anytime within the next several months. The research involves studying vibrational mode effects and energy disposal in reactions of small polyatomic ions. The goals are to develop a more complete picture for the mechanisms of vibrational effects in polyatomic reactions, to examine the possibilities for vibrational control of reactions, and generally to understand the unique mechanistic features observed in these reactions. The reactant ions are created by MPI/PFI and sophisticated guided-ion beam techniques are used to measure product recoil energy and angular distributions.
References are given below for several papers in this area. More complete descriptions of this project, and others going on in the group, can be found on the web at http://www.chem.utah.edu/heb/faculty/anderson.htm. Information on the University of Utah and the state of Utah can be found starting at http://www.chem.utah.edu/ and http://www.state.ut.us/.
To types of positions are possible. One is the usual postdoctoral research associate position, involving only research. In addition, the Univeristy of Utah runs a Faculty Intern program. In these positions, approximately 7/8 effort goes into research, averaged over the calendar year, and the other 1/8 time is spent in mentored teaching at the undergraduate level. This teaching experience can be quite valuable for those considering college teaching careers. Previous Faculty Interns have been successful at obtaining teaching positions at good colleges.
If interested, please send a curriculum vitae and arrange to have three letters of recommendation sent to: Prof. Scott Anderson, Chemistry, University of Utah, Salt Lake City, UT 84112. Email is fine. The position pays a competitive salary with full benefits. The University of Utah is an equal opportunity employer.
Prof. Scott L. Anderson, Chemistry Department, University of Utah, Salt Lake City, UT 84112, anderson@chemistry.utah.edu, Ph:(801)585-7289, FAX:(801)581-8433
UNIVERSITY OF ILLINOIS AT CHICAGO, DEPARTMENT OF CHEMISTRY A post-doctoral position is open in the group of Prof. Robert Gordon at the University of Illinois at Chicago in the area of coherent control of chemical reactions. We have recently demonstrated control over the branching between ionization and dissociation of HI and DI (Science, 270, 77 (1995)), and we are starting more ambitious experiments involving bond-selective photodissociation. Other research involves controlling the photofragment state distribution by selecting the electronic "gateway" state which determines the subsequent interference in the asymptotic region (JCP, 103, 6811, (1995)).
Candidates for this position should have experience with YAG- and excimer-pumped dye lasers, pulsed molecular beams, and ion optics. The position is to start in the Spring of 1997, and funding is available for more than one year. Please send resumes and arrange for letters of recommendation to be sent to Robert Gordon, Department of Chemistry (m/c 111), University of Illinois at Chicago, 845 W Taylor Street, Chicago, IL 60076.
UNIVERSITY OF FREIBURG, GERMANY, DEPARTMENT OF PHYSICS
The Collaborative Research Center 276 "Correlated Dynamics of Highly-excited Atomic and Molecular Systems" is seeking a young, highly-qualified physicist as Theory Group Leader.
The group will work in the field of theoretical atomic, molecular or cluster physics with special emphasis on resonant and multi- fragmentation processes. Preference will be given to candidates interested in the interaction of strong laser fields with atoms, molecules or clusters.
The position (BAT IIa/Ib) is for a period of five years, starting on 1.1.1998, and subject to acceptance of a research proposal by the Deutsche Forschungsgemeinschaft. The University is seeking to increase the number of women faculty members, and encourages suitably-qualified women to apply.
Applicants should send a brief outline of a research proposal (1-3 pages) along with curriculum vitae and list of publications to: Prof. Dr. Ch. Schlier, Speaker SFB 276 Fakultät für Physik, Universität Freiburg Hermann-Herder-Str. 3, D-79104 Freiburg, Germany e-mail: schlier@uni-freiburg.de phone: +49-761-203-5818, FAX: +49-761-203-5873
UNIVESTITY OP ROME, DEPARTMENT OF CHEMISTRY, THEORETICAL CHEMICAL PHYSICS GROUP
Applications are invited for a postdoctoral position, funded by the Max-Planck-Research Society, to work in the area of quantum und classical dynamics applied to elementary processes in neutral and ionized rare gas clusters. The position would be available from early 1997 for a period of 12 months and could be extended for a second year or more. For further details please contact Prof. Franco A. Gianturco, Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy. Fax: +39-6-49913305; e.mail: FAGIANT@CASPUR.IT.
Rotational-State Dependent Selectivity in Bond Fission of C_2HD Unpublished T. Arusi-Parpar, R.P. Schmid, R.-J. Li, I. Bar, and S. Rosenwaks Department of Physics, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel, zamik@bgumail.bgu.ac.il
We report on the first demonstration of rotational-state selectivity in bond fission. C_2HD is prepared in the 5nu_1 vibrational-state and photodissociated by 243.1 nm photons that also probe the H/D fragments. The production of both H and D is greatly enhanced upon rovibrational excitation and is rotational-state dependent. The H/D branching ratio for the photodissociation of C_2HD (5nu_1) is 1.5 pm 0.2 for J' =3D 2 and 4.9 pm 0.5 for J' =3D 4. Possible mechanisms for the rotational dependence are discussed.
Monte Carlo integration with quasi-random numbers: experience with discontinuous integrands Accepted in Comp. Phys. Comm. M. Berblinger, Ch. Schlier, T.Weiss Physics Department, Hermann-Herderstr. 3, D-79104 Freiburg (Schlier@uni-freiburg.de)
The paper shows the limits to the general superiority of quasi-random numbers over pseudo-random numbers in integration tasks.
Direct collisional scattering of the excited hydrogen atom: Doppler profiles analysis in the fast Ar^+ ions collisions with acetylene and ethylene. Chemical Physics Letters Manabu Tokeshi, Keiji Nakashima, Teiichiro Ogawa Department of Molecular Science and Technology Kyushu University ogawa@cm.kyushu-u.ac.jp
Ar ion collides with one of the hydrogen atom in the molecule, and the rest of the molecule is a spectator.
Branching ratio for the production of OD(A) and OH(A) by controlled electron impact on HOD. Journal of Chemical Physics Kenji Furuya, Fumihiro Koba, Teiichiro Ogawa, Department of Molecular Science and Technology Kyushu University ogawa@cm.kyushu-u.ac.jp
There was no isotope effect in the formation of OH(A) and OD(A) contrary to expectation.
Isotope effects in rovibrational distributions of OH(A) and OD(A) produced by electron impact on H_2O and D_2O Kenji Furuya, Fumihiro Koba, Teiichiro Ogawa Department of Molecular Science and Technology Kyushu University ogawa@cm.kyushu-u.ac.jp
Rotational temperatures of the v=0 level were identical, but those of the v=1 level different.
Photoinduced bimolecular reactions in homogenous [CH_3ONO]_n clusters Journal of Physical Chemistry K. Bergmann and J. Robert Huber
The photodissociation of homogenous methyl nitrite clusters, [CH_3ONO]_n with n 400 - 1000, was investigated in a supersonic jet observing the products NO (cold), NO (hot), HNO and H_2CO by LIF techniques.
The Interactions of Electrons with Organized Organic Films Studied by Photoelectron Transmission. Thin Solid Films (1996) in press. A. Kadyshevitch and R. Naaman* Department of Chemical Physics, Weizmann Institute, Rehovot, 76100 Israel An electronmultiplier capable of working at low vacuum- the microsphere plate Rev. Sci. Inst. 67,3332 (1996). R. Naaman*, Z. Vager Department of Chemical Physics, Weizmann Institute, Rehovot, 76100 Israel
Experimental determination of the dipole moment of HCl dimer using an electrostatic hexapole field Chem. Phys. Letts. 259, 356 (1996). K. Imura, T. Kasai, H. Ohoyama, H. Takahashi, and R. Naaman,
Reactivity induced by complex formation. The reaction of O(^3P) with HCl dimers J. Chem. Phys., Feb. 15 (1997). Y. Hurwitz, P.S. Stern, R. Naaman*, and A.B. McCoy, Department of Chemical Physics, Weizmann Institute, Rehovot, 76100 Israel,
Electron transmission through organized organic films Surface and Interface Analysis A. Kadyshevitch and R. Naaman Department of Chemical Physics, Weizmann Institute, Rehovot, 76100 Israel
Permanent Electronic Excitation of a Molecular Layer on a Surface Through Phase Conjugation Journal of Physical Chemistry Henk F. Arnoldus and Thomas F. George* Office of the Chancellor/Departments of Chemistry and Physics & Astronomy, University of Wisconsin-Stevens Point, Stevens Point, WI 54481-3897, tgeorge@uwsp.edu
The dynamics of an atom (or molecule) located near the surface of a four-wave mixing phase conjugator is studied, where this device consists of a slab of nonlinear material, which is illuminated by two strong counterpropagating laser beams. It is shown that the excited-level population is determined entirely by the Fresnel reflection coefficients of the medium, and in the case of magnetic degeneracy of the levels, the distribution over the sublevels is furthermore determined by geometrical Clebsch-Gordan coefficients.
Molecular Electronic Transititions Near a Dielectric or Metallic Medium Nova Journal of Theoretical Physics Henk F. Arnoldus and Thomas F. George* Office of the Chancellor/Departments of Chemistry and Physics & Astronomy University of Wisconsin-Stevens Point Stevens Point, WI 54481-3897 tgeorge@uwsp.edu
We consider a single molecule located near the surface of a layer of a dielectric material, where the quantum electromagnetic vacuum field is modified, as compared to empty space, and this leads to a change of the decay rate of a molecule in an excited electronic state. We derive an explicit expression for the Einstein A coefficient and study its dependence on the various parameters in the problem.
Laser-Induced Oxidation of Metals: State of the Art Thin Solid Films Laszlo Nanai, Robert Vajtai and Thomas F. George* Office of the Chancellor/Departments of Chemistry and Physics & Astronomy University of Wisconsin-Stevens Point Stevens Point, WI 54481-3897 tgeorge@uwsp.edu
The mechanisms of isothermal and laser-induced oxidation processes are compared. Instabilities connected with the appearance of positive feedback between the laser and thermal parameters, as well as the optical properties of the system, are considered, and absorptivity changes and variations of the metal oxidation constant, such as due to changes in temperature and wavelength, are presented by using vanadium as an example.
Interaction forces and energy transfer dynamics of LiH( ^1Sigma ^+ ) and He atoms. I. The potential energy surface Chem. Phys. F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt, and D.L. Cooper Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
The accurate calculation of the Rigid-Rotor potential energy surface is carried out using extensively correlated VB functions.
Interaction forces and energy transfer dynamics of LiH( ^1Sigma ^+ ) and He atoms. II. Rotationally inelastic collsions and excitation efficiency Chem. Phys., unpublished F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi and M. Sironi Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
The previous interaction is meployed to obtain inelastic cross sections and relaxation rates of astrophysical interest.
Collisional heating in ionic argon clusters: Ar+Ar ^+_2 case J. Chem. Soc. Faraday Trans. (Special issue on Quantum Theory of Chemical Reactions) F.A. Gianturco, E. Buonomo, M.P. De Lara-Castells, G. Delgado-Barrio, S. Miret-Art‚s and P.Villareal Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy.
Collisional heating of Ar ^+_2 dimers during the nucleation process of argon ionic clusters is examined and found to be not great importance for the relevant dynamics of formation.
Quantum calculations of transport of transport properties in molecular gases Comp. Phys. Comm. F.A. Gianturco, S. Serna and A.V. Storozhev Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
A general code for the close coupling evaluation of transport and relaxation coefficients in molecular gases is presented and discussed.
Radiative association of LiH(X ^1 Sigma ^+ ) from electronically excited lithium atoms Phys. Rev. F.A. Gianturco, P. Gori Giorgi Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy.
The radiative association cross sections and rates are obtained from quantum calculations using very accurate potential energy curves.
Elastic collisions and rotational excitation in positron scattering from CO _2 molecules Phys. Rev. A F.A. Gianturco, P. Paioletti Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
Ab initio quantum calculations of positron collisions with CO_2 molecules are carried out for the first time in order to obtain rotational energy transfer efficiency.
Dynamic coupling effects in the vibrational excitation of H _2 and N _2 colliding with protons Phys. Rev. A (to be published) F.A. Gianturco, T. Mukherjee Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy.
The vibrational close coupled equations are used to obtain vibrationally inelastic cross sections for H _2 and N _2 molecules at low collision energies.
Mode excitation dynamics in the fragmentation of Ar _3^+ : an helicity decoupling study J. Chem. Phys. F.A. Gianturco, E. Buonomo, M.P. De Lara, S. Miret-Artes, G. Delgado-Barrio, and P.Villareal Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
The fragmentation mechanisms for Ar _3^+ systems are studied via accurate quantum mechanical methods.
Some properties of the lower electronic states for non-linear He _3^+ clusters J. Chem. Phys. (submitted) F.A. Gianturco, M.P. De Lara-Castells and F. Schneider Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy.
The full potential energy surfaces for the He trimer are computed for several electronic states to interpret the findings from fragmentation experiments.
Calculations of rotationally inelastic process in electron collisions with CO _2 molecules Phys. Rev. A (submitted) F.A. Gianturco, T. Stoecklin Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
The collision of low energy electrons with CO _2 molecules are studied over a broad range of rotationally inelastic processes coupled with the presence of resonant states.
Formation of protonated helium dimers from correlated ab initio calculations J. Chem. Phys. (submitted) F.A. Gianturco, I. Baccarelli and F. Schneider Department of Chemistry, The University of Rome, Citta Universitaria, 00185 Rome, Italy
The dynamics and structural stability of the lower electronic states of protonated He dimers are studied with highly correlated ab initio calculations.
A coupled-cluster ab initio study of triplet C_3H_2 and the neutral-neutral reaction to interstellar C_3H J. Chem. Phys. Christian Ochsenfeld, Ralf I. Kaiser, Yuan T. Lee, Arthur G. Suits, Martin Head-Gordon Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720, USA
For the initially formed C_3H_2 collision complexes of molecular beam experiments ab initio calculations are presented. Resolving energetics and properties of these intermediates is essential for the understanding of the reaction of C(^3P) with C_2H_2 to form interstellar cyclic and linear isomers of C_3H. Computed reaction energies agree with results from molecular beam experiments. The combination of crossed molecular beam experiments and ab initio calculations allows to identify two reaction channels for the carbon-hydrogen exchange and to explain astronomical observations of a higher c-C_3H to l-C_3H ratio in dark clouds as compared to hotter envelopes of carbon stars.
Phosphorescence of C_60 in rare gas matrices Chem. Phys. Letters 261(1996) 213 A. Sassara, G. Zerza and M. Chergui Inst. de Physique Experimentale, Faculte des Sciences, Universite de Lausanne, 1015 Lausanne, Switzerland
Emission spectra and lifetimes of the lowest triplet state of C_60 are reported for Kr and Xe matrices. An assignement in terms of h_g, t_1u, t_2u, h_u and g_u modes is given. Trapping site effects are also discussed.
Ultrafast Dynamics of Rydberg states in the Condensed Phase Chem. Phys. Letters 259 (1996) 475 M.T. Portella-Oberli, C. Jeannin and M. Chergui Inst. de Physique Experimentale, Faculte des Sciences, Univ. de Lausanne, 1015 Lausanne-Dorigny, Switzerland
We report on the methodology and preliminary results of a fs pump-probe experiment aimed at probing the bubble formation following excitation of the lowest Rydberg state of NO in Ar matrices. The results suggest that the relaxed bubble state is reached in about 4 ps.
Luminescence from quantum crystals: NO in solid H_2 J. Chem. Phys. F. Vigliotti, G. Zerza and M. Chergui Inst. de Physique Experimentale, Faculte des SciencesUniversite de Lausanne, 1015 Lausanne, Switzerland
The fluorescence of the lowest Rydberg state of NO in solid H_2 is reported and intramolecular relaxation processes are discussed.
Ultrafast intramolecular and caging dynamics of I_2 in CCl_4 from resonanace Raman spectroscopy J. of Raman Spectroscopy, Special Issue on resonance Raman Spectroscopy (submitted) J. Xu, N. Schwentner, S. Hennig Inst. fuer Experimentalphysik, Freie Universitaet Berlin, Arnimallee 14, D-14195 Berlin, Germany
Resonance Raman spectra of I_2 in a CCl_4 solvent are reported and discussed, in the time-dependant picture, in terms of predissociation processes involving the B state and the repulsive states that cross it.
1. XVII INTERNATIONAL SYMPOSIUM ON MOLECULAR BEAMS Paris XI University, Orsay, June 2-6, 1997 The XVII INTERNATIONAL SYMPOSIUM ON MOLECULAR BEAMS will be held June 2-6, 1997 in Paris XI University, at Orsay. It will be organized by the Laboratoire Aime Cotton (Orsay) and the Service des Photons, des Atomes et des Molecules (Saclay). The local committee includes : C. COLLIEX (Orsay), I. DIMICOLI (Saclay), P. LUC (Orsay), I. NENNER (Chair, Saclay), A. SARFATI (Secretary, Orsay), R. VETTER (Chair, Orsay), and J.-P. VISTICOT (Treasurer, Saclay). The scientific programme will emphasize the use of molecular beams in various areas as molecular spectroscopy, reactive and non-reactive collisions, half-collisions, the structure, dynamics, and reactivity of metallic and molecular clusters, gas-surface and gas-liquid interactions, etc..., and the development of new techniques. As usual, the format will consist in lectures, hot topic and poster sessions. For preliminary informations please contact the local committee : by E-mail : smb17@sun.lac.u-psud.fr by Fax : (33) -1 - 69 35 20 04
2. 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.
3. 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.
The Keynote Lecturers will be: D.P. Craig, N.C. Handy, J.-P. Hansen, D.R. Herschbach, D.A. King, W. Klemperer, R.A. Marcus, J.A. Pople, A.H. Zewail
Invited Speakers: L. D. Barron, C. A. de Lange, P. W. Fowler, J. M. Hutson, D. M. Neumark, G. L. D. Ritchie, J.-L. Rivail, R. J. Saykally, P. J. Stephens
Principal Organisers: D. C. Clary (UCL, UK) and B. J. Orr (Macquarie, Australia)
Conference Secretary: M. J. T. Jordan (Cambridge, UK)
The conference will start after lunch, at 2pm, on Thursday 10 July 1997 and finish with breakfast on Sunday 13 July. Lectures will be held in the Department of Chemistry, University of Cambridge and accommodation will be in Pembroke College Cambridge.
Cambridge is easy to get to from London by rail and from Stansted and Heathrow Airports by bus.
Sponsors for the conference include Elsevier, Taylor and Francis, Shell and CCP6.
The total cost for registration and accommodation will be close to 240 pounds.
There will be a limited capacity for contributed poster papers.
More details will be sent out in 1997 to those who register their interest now.
The www site for the meeting is : http://nickel.chem.ucl.ac.uk/adb.conference/
If you would like to take part in the conference, please email the form below to:
Dr Meredith Jordan, Conference Secretary, Department of Chemistry, University of Cambridge, Lensfield Rd Cambridge, CB2 1EW, UK. Email: mjtj2@cus.cam.ac.uk Fax: [44]-(1223)-336 362
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I would like to attend the conference:
OPTICAL, ELECTRIC AND MAGNETIC PROPERTIES OF MOLECULES: A conference to celebrate the career of Professor A. D. Buckingham
July 10-13 1997 Cambridge, UK
Name:
Email:
Fax:
Address:
Suggested Poster Title (optional):
Please email this completed form to mjtj2@cus.cam.ac.uk
4. 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.)
5. 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
6. GORDON RESEARCH CONFERENCE MOLECULAR ELECTRONIC SPECTROSCOPY AND DYNAMICS Queens College, Oxford, UK, Aug. 31 - Sept. 5, 1997 The 1997 Gordon Research Conference on Molecular Electronic Spectroscopy and Dynamics will be held at Queens College, Oxford, England from August 31 - September 5, 1997, on the High Street. In keeping with the international venue, and the traditions of the meeting, a wide variety of topics relating to electronic spectroscopy and its applications to studies of molecular structure and dynamics in both the gas phase and the condensed phase will be discussed. An active social program also is planned. Program details, application procedures, and travel and accommodation information will be provided at a later date. David W. Pratt (Chair; pratt+@pitt.edu), Robert W. Field (Vice-Chair; rwfield@mit.edu), John P. Simons (Chair. Local Organizing Committee; jpsimons@vax.ox.ac.uk).
7. Faraday Division, Royal Society of Chemistry - Faraday Discussion 108 "The Dynamics of Electronically-Excited States in Gaseous, Cluster and Condensed Media" University of Sussex, UK, 15-17 December 1997 Organising Committee: G S Beddard, R J Donovan, R Grice, J M Hutson, A Orr-Ewing, B Soep, A J Stace, J C Whitehead (Chairman)
There are now a wide range of experiments being performed that can study various aspects of the dynamics of electronically-excited states in gaseous, cluster and condensed phases. The aim of the Discussion will be to explore the similarities and differences beetween these processes in the different media focusing on the effect of the medium. The processes involved include energy transfer processes, chemical reaction, decomposition to neutral and ionic fragments, proton and electron transfer. Contributions are invited for consideration by the Organising Committee. Titles and abstracts should be submitted by 20th DECEMBER 1996 to Dr J C Whitehead, Chemistry Department, Manchester University, Manchester, M13 9PL (j.c.whitehead@man.ac.uk). Full papers for publication in the Faraday General Discussion 108 will be required by August 1997. Further details about the Discussion can be obtained from Ms Shazia Riaz, riazs@rsc.org.
8. Faraday Division, Royal Society of Chemistry - Faraday Discussion 110 "CHEMICAL REACTION THEORY" University of St Andrews, Scotland, 1-3 July 1998
CALL FOR ABSTRACTS
This will be the first Faraday Discussion devoted purely to the theory of chemical reactions, one of the most rapidly developing areas of theoretical chemistry. Predictions on the dynamics of the reactions of small molecules can now be as reliable as experimental measurements and the accuracy of calculations on more complicated problems ranging from reactions of organic molecules to reactions on surfaces and in solution is improving at a very fast pace.
The committee specially welcomes theoretical or computational papers in the following areas:
* ab initio calculation of accurate potential energy surfaces for chemical reactions * scattering theory for the accurate treatment of the reactions of small molecules * extension of theory to dynamics and kinetics of larger molecules * reactions of molecules on solid surfaces and in solution
The papers chosen for the Discussion will be concerned with theory or calculations that can be tested by comparison with experiment.
St Andrews University on the east coast of Scotland is over 500 years old and is a beautiful place to hold the meeting (especially in July). The accommodation facilities there are excellent. There are good connections to St Andrews from the international airport at Glasgow and also from Edinburgh.
Contributions are invited for consideration by the Organising Committee. Titles and abstracts of about 300 words should be submitted no later than 1 JUNE 1997 to Professor D C Clary, Department of Chemistry, University College London, London WC1H OAJ (email: d.c.clary@ucl.ac.uk).
Full papers for publication in the Faraday General Discussion 110 volume will be required by February 1998.
Organising Committee: D C Clary (Chairman), J N L Connor, I H Hillier, S Holloway, W C Mackrodt , D E Manolopoulos, M A Robb
10. 15th International Symposium on Gas Kinetics
The 15th International Symposium on Gas Kinetics will be held in Bilbao, Spain, during the week 12-19th September 1998. Further details from Prof. F. Castano (qfpcaalf@lgdx02.lg.ehu.es)
