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47417-SE
Electronic Structures and Reaction Dynamics of Open-shell Species, at the ACS National Meeting, April 2008, New Orleans, LA

Jingsong Zhang, University of California, Riverside

The ACS PRF# 47417-SE grant has been used to support the Symposium on Electronic Structures and Reaction Dynamics of Open-shell Species at the 235th ACS National Meeting, April 6-10, 2008, New Orleans, LA.

The symposium focuses on open-shell species.  The open-shell species play important roles in many reactive environments (atmosphere, combustion, plasma, interstellar space, etc.), and yet it is challenging to investigate reaction dynamics of free radicals at the molecular level.  This symposium highlights recent advances in the experimental and theoretical studies of both the fundamental and applied aspects of open-shell species.  The topics include spectroscopy and potential energy surfaces, photochemistry, and reaction dynamics of free radicals in gas phase, clusters, and condensed phase, as well as in atmospheric applications and other chemical processes.

The organizers of the symposium were Jingsong Zhang (Department of Chemistry, University of California, Riverside) and Martin Head-Gordon (Department of Chemistry, University of California, Berkeley).

Eight sessions were organized in the symposium.  29 invited speakers (including 6 international speakers) and 30 contributed speakers presented their work at the symposium.  In addition, 15 posters of this symposium were presented at the physical chemistry poster session.  The attendance at the symposium throughout the five-day conference was about 60.  A byproduct of this symposium is a themed issue of the Physical Chemistry and Chemical Physics journal based on the topics of the symposium; both the symposium organizers are currently organizing this special issue and serve as guest editors.

The ACS PRF# 47417-SE grant was used to support the travel cost of 6 international speakers.  These speakers are

(1)  Xueming Yang, Dalian Institute of Chemical Physics, Chinese Academy of Sciences

(2)  David H. Parker, Institute for Molecules and Materials, University of Nijmegen

(3)  Piergiorgio Casavecchia, Dipartimento di Chimica, Università degli Studi di Perugia

(4)  Michiel Sprik, Department of Chemistry, University of Cambridge

(5)  Yuan-Pern Lee, Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, Taiwan

(6)  Kopin Liu, Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan

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