PHYSWednesday, August 22, 2007

8:20 AM-12:00 PM BCEC -- 160A, Oral
Excited Electronic States in Chemistry and Biology: Theory and Experiment
Protein Environments and Extended Systems
Organizer:Spiridoula Matsika
Official:Todd J. Martínez
8:20 AMStudying the photochemistry of retinal proteins with QM/MM methods
Marcus Elstner
9:00 AMExcited state CASSCF/forcefield dynamics computations on systems of biological interest
Gerrit Groenhof, Lars V. Schaefer, Helmut Grubmueller, Martial Boggio-Pasqua, Michael A. Robb
9:20 AMCalculation of excited states with ONIOM(QM:QM) methods
Thom Vreven, Michael J. Bearpark, Michael J. Frisch
9:40 AMIntermission
10:00 AMUltrafast exciton dissociation in semiconducting polymers: Non-adiabatic quantum dynamics based upon a hierarchical electron-phonon model
Irene Burghardt, Eric R Bittner, Hiroyuki Tamura
Paper Withdrawn
11:00 AMElectron stimulated desorption and dissociation of thin water films adsorbed on TiO2 (110)
Nikolay G. Petrik, Christopher D. Lane, Thomas Orlando, Greg A. Kimmel
11:20 AMCharge transfer and carrier mobility in OPV materials examined with ultrafast multidimensional infrared spectroscopy
John B Asbury, Larry W Barbour, Maureen Hegadorn, Ryan D Pensack
11:40 AMRational design of conjugated organic chromophores for two-photon absorption and bioimaging: One-photon and two-photon spectroscopy
Nisan N. Siegel, Anthony J. Zucchero, James N. Wilson, Uwe H. F. Bunz, Sumalekshmy Sarojini Amma, Yonggang Wu, Christoph J. Fahrni, Mariacristina Rumi, Joseph W. Perry

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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007