Dear Colleagues,
We would like to encourage you and your students to
submit contributed talks and poster papers
respectively for the symposium "Frontiers in Molecular
Dynamics: Experiment and Theory" at the National
American Chemical Society Meeting in San
Francisco, CA Sept. 10-14, 2006. The symposium is
organized by Joel Bowman and Laurie Butler and is
designed to bridge gas and condensed phase
chemical dynamics.
NOTE THAT THE ABSTRACT SUBMISSION
DEADLINE IS APRIL 7, 2006.
PLEASE FORWARD THIS EMAIL TO YOUR
GRADUATE STUDENTS AND POSTDOCTORAL
ASSOCIATES
Frontiers in Molecular Dynamics: Experiment and
Theory
Experimental and theoretical research in gas phase
reaction dynamics and the interplay between them
continue to play a fundamental role in advancing our
understanding of the details of chemical reactivity.
Transporting and extending this understanding to
condensed phases and to interfaces is an essential
goal of the field as well. This symposium is devoted to
virtually every advance made in these fields, from
potential energy surfaces to new experimental
techniques to probe the finest details of chemical
reactions and intermolecular processes.
(a list of sessions and invited speakers follows at the
end of this email)
To submit an abstract, please go to:
http://oasys.acs.org/acs/232nm/phys/papers/index.cgi
Your first step when you get to that page is to choose
the right symposium. Scroll down to the fourth option
and click the circle next to:
Oral: Frontiers in Molecular Dynamics: Experiment
and Theory. This Symposium will consist of a mix of
invited and contributed oral presentations.
Laurie J. Butler, The Department of Chemistry, The
University of Chicago, The James Franck Institute,
5640 S. Ellis Ave, Chicago, IL 60637, Phone: 773-
702-7206, Fax: 773-702-5863, L-
[log in to unmask]
Joel M. Bowman, Cherry L. Emerson Center of
Scientific Computation and Department of Chemistry,
Emory University, Atlanta, GA 30322, Phone: 404-
727-6592, Fax: 404-727-6628,
[log in to unmask]
(If you prefer a poster, scroll down farther and select
Poster: Physical Chemistry Poster Session)
If we are not able to accommodate everyone's
contributed talks, we will transfer the paper to the
poster session.
Laurie J. Butler
Professor of Chemistry
The University of Chicago
Joel Bowman,
Professor of Chemistry
Emory University
___________________
Frontiers in Molecular Dynamics: Experiment and
Theory
At the ACS National Meeting in San Francisco, Sept.
10-14, 2006
FROM GASEOUS TO CONDENSED PHASE
DYNAMICS I AND II
Mark Johnson "Watching H-atom migration in
clusters"
Jim Skinner "Molecular dynamics and vibrational
spectroscopy in water and aqueous solutions"
Daniel Neumark "Spectroscopy and dynamics of
excess electrons in clusters"
Peter Hamm - TBA
John Tully "Nonadiabatic dynamics at surfaces"
Geert-Jan Kroes "Reactions of molecules at metal
surfaces: adiabatic or not?"
NEW EXPERIMENTAL TECHNIQUES
Steve Leone "State-resolved ultrafast coherent
dynamics"
David Parker "Velocity Map Imaging in Molecular
Dynamics Research"
Andrei Sanov "Photochemistry of Molecular and
Cluster Anions via Photoelectron Imaging and
Photofragment Spectroscopies"
David Jonas "Watching electronic motion through a
conical intersection"
NEW THEORETICAL TECHNIQUES I AND II
David Mazzioti "Two-electron Blueprints of Many-
electron Atoms and Molecules"
Michael Collins "Molecular Potential Energy
Surfaces and Matrices for Chemical Reaction
Dynamics"
Mark Tuckerman "Advances in ab initio molecular
dynamics exploiting `on the fly' orbital localization and
localized basis sets"
David Manolopoulos "Quantum effects in molecular
dynamics"
John Herbert "Is the Car-Parrinello trick necessary in
Gaussian basis sets?""
Stephen Klippenstein "From Potential Energy
Surfaces to Reaction Rates for Radical Reactions"
John Stanton "Dynamics of peroxynitrous acid and
related molecules"
Keiji Morokuma "QM/MD simulations of the carbon
nanotube growth and dynamics"
DYNAMICS OF ATMOSPHERIC REACTIONS
Mitchio Okumura "The OH + NO2 Reaction:
Fundamentalissues in Termolecular Association
Reactions"
Jim Lin "Dynamics on some elementary reactions
involving O(1D/3P) atoms studied by crossed
molecular beam methods"
John Hemminger "Composition and Chemistry of the
Solution/Vapor Interface"
Anne McCoy "Investigating the spectroscopy and
dynamics of cis,cis- and cis,perp-HOONO"
RADICAL INTERMEDIATES IN BIMOLECULAR
REACTIONS
A. Mebel "Theoretical studies of potential energy
surfaces, rate constants, and product branching ratios
for the reactions of C2 and C3 with unsaturated
hydrocarbons"
D. Osborn "Reactions of vinyl and ketenyl: the rich
chemistry of unsaturated radicals"
A. Krylov - TBA
P. Casavecchia "Recent progress in crossed
molecular beam studies of radical-molecule and
radical-radical reactions: From combustion to
astrochemistry."
BIMOLECULAR REACTION DYNAMICS I AND II
Floyd Davis "The Role of Reactant Vibrational vs.
Translational Energy in Transition Metal- Hydrocarbon
Insertion Reactions"
Dick Zare "Comparing reactions of H and Cl with C-
H stretch-excited CHD3"
Hua Guo "How good is the quantum statistical
model in treating complex-forming reactions?"
Bill Miller "Semiclassical Theory of Dynamics in
Complex Molecular Systems"
Bastiaan Braams "Ab initio reaction dynamics on
global fitted
potential energy surfaces - Examples H + CH4, H2 +
C2H3+, and H2O +
H3O+"
Millard Alexander TBA
George Schatz "Theoretical studies of the reactions
of oxygen atoms and ions with small molecules and
with surfaces."
Amy Mullin "Vibrationally enhanced reactions of
highly excited pyridine with Cl radicals"
PHOTODISSOCIATION DYNAMICS
Paul Houston "Photodissociation of Small Radicals"
Hanna Reisler - TBA
Scott Kable "Molecular fingerprints: Using full
rotational resolution (J, Ka, Kc, and more) to explore
the pathways for photodissociation."
Mark Brouard "Atomic photofragment orbital
polarization as a probe of molecular
photodissociation dynamics."
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