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46955-SE
Excited Electronic States in Chemistry and Biology: Theory and Experiment, at the ACS National Meeting, August 2007, Boston, MA

Spiridoula Matsika, Temple University

SE-PRF funding was used to support international speakers at the symposium ``Excited Electronic States in Chemistry and Biology: Theory and Experiment'' which was organized by Todd J. Martínez, (University of Illinois) and co-organized by Spiridoula Matsika, (Temple University) and took place at the ACS meeting in Boston, MA in August 2007.

The purpose of this symposium was to bring together theorists and experimentalists who study excited state dynamics in photochemistry and photobiology. Recent theoretical advances in modeling electronic structure of excited states and dynamics including quantum mechanical effects have opened the door to detailed treatments of photochemical and photobiological processes. Simultaneously, advances in crystallographic and spectroscopic methods are providing new data which can both test and challenge theory. In view of these current developments this symposium was very timely and fostered interactions between the theoretical and experimental communities. This symposium covered new developments in theory and experiment in the chemistry and dynamics of excited electronic states. Advances in theoretical and experimental methods were included, as well as applications to photochemical and photobiological processes.

International invited speakers

Four international speakers presented talks at the symposium. Abstracts of their presentations are below:

1) Manuela Merchán

``Molecular basis of the photostability and photoinduced reactivity in biomolecules”

2) Massimo Olivucci

``Computational Design and Characterization of a Bio-mimetic Photochemical Switch''

3) Irene Burghardt

``Ultrafast exciton dissociation in semiconducting polymers: Non-adiabatic quantum dynamics based upon a hierarchical electron-phonon model”

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4) Marcus Elstner

``Studying the Photochemistry of Retinal Proteins with QM/MM methods”

List of speakers

The symposium included 17 invited speakers and 30 contributed talks. Additional submission were presented in a poster session as part of the Physical Chemistry poster session. There were seven sessions, each half day long. Speakers and authors for every session are listed below. Names in boldface correspond to the international speakers invited.

Methods and Techniques (Sunday afternoon)

K. Burke (invited)

Abedi, N. T. Maitra, E. Gross

V. S. Batista

S. S. Iyengar (invited)

P. W. Langhoff, R. J. Hinde, J. D. Mills, J. A. Boatz

B. D. Prince, M. N. Slipchenko, A. Chakraborty, B. M. Prince, A. J. Blom, H. U. Stauffer

J. J. Dorando, J. Hachmann, G. K -L. Chan

J. R. Schmidt, J. Tully

Protein Environments and Extended Systems I (Monday Morning)

Warshel (invited)

W. F. Beck, S. Lampa-Pastirk, K. J. Barns

C. Punwong, J. M. Owens, T. J. Martínez

S. G. Boxer (invited)

D. Yaron, V. Ediz, J. L. Lee, G. L. Silva, B. A. Armitage

S. Jang

M. Olivucci (invited)

Gas and Liquid Environments I (Tuesday Morning)

D. R. Yarkony (invited)

M. J. Lucero, A. M. N. Niklasson, M. Challacombe

B. G. Levine, T. J. Martinez

A. I. Krylov (invited)

R. Valero, D. G. Truhlar

K. Kowalski, M. Valiev, J. R. Hammond

J. Determan, P. Sinha, M. A. Omary, A. K. Wilson

S. Zilberg, Y. Haas, B. Dick

Protein Environments and Extended Systems II (Wednesday Morning)

M. Elstner (invited)

G. Groenhof, L. V. Schaefer, H. Grubmueller, M. Boggio-Pasqua, M. A. Robb

T. Vreven, M. J. Bearpark, M. J. Frisch

Burghardt, E. R. Bittner, H. Tamura (invited)

N. G. Petrik, C. D. Lane, T. Orlando, G. A. Kimmel

J. B. Asbury, L. W. Barbour, M. Hegadorn, R. D. Pensack

N. N. Siegel, A. J. Zucchero, J. N. Wilson, U. H. F. Bunz, S. Sarojini Amma, Y. Wu, C. J. Fahrni, M. Rumi, J. W. Perry

DNA and RNA Bases I (Wednesday Afternoon)

W. Kong, L. Pei, J. Zhang (invited)

M. Merchán (invited)

S. Ullrich, N. Evans, B. Potter, H. Satzger, M. Z. Zgierski, A. Stolow (invited)

D. Zhong (invited)

Jailaubekov, C. Chester, S. E. Bradforth

H. Hudock, A. Virshup, T. J. Martinez

DNA and RNA Bases II (Thursday Morning)

R. J. Stanley, G. Kodali, S. Saddiqui, Z. Hou, M. Narayanan (invited)

B. Kohler, T. Takaya, C. Su, C. E. Crespo-Hernández (invited)

N. K. Schwalb, F. E. E. Temps

T. Fiebig

D. S. Larsen, A. Jailaubekov, C. To, S. E. Bradforth

Gas and Liquid Environments II (Thursday Afternoon)

G. Suits, M. H. Kim, L. Shen (invited)

K. F. Hall, M. J. Bearpark, A. M. Tokmachev, M. Boggio-Pasqua, M. A. Robb

L. A. Burns, D. Murdock, P. H. Vaccaro

K. Morokuma, I. Kerkines, Z. Wang, P. Zhang, L. W. Chung, M. Lundberg, S. Hayashi (invited)

N. Ben-Menachem, S. Keinan, N. Munitz, E. Pines

C. A. Rivera, S. E. Bradforth, N. Winter, R. V. Harper, I. Benjamin

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