PHYSThursday, April 10, 2008

8:00 AM-12:00 PM Morial Convention Center -- Rm. 345, Oral
Electronic Structure and Reaction Dynamics of Open-shell Species
Spectroscopy and Potential Energy Surfaces of Open-Shell Species
Organizers:Jingsong Zhang
Martin Head-Gordon
Presiding:John F. Stanton
8:00 AMSpectroscopic detection and characterization of open-shell organic peroxy radicals in the near infra-red
Terry A. Miller, Patrick Rupper, Erin N. Sharp, Gabriel M. P. Just, Patrick Dupré
8:40 AMRovibronic bands of the A2B2X2B1 transition of C6H5O and C6D5O detected with cavity ringdown absorption near 1.15-1.32 µm
Chi-Wen Cheng, Henryk Witek, Yuan-Pern Lee
9:20 AMNear-UV and UV photodissociation dynamics of the CH3S radical via the Ă2A1 state: The H-atom product channel
Xianfeng Zheng, Yu Song, Jingze Wu, Jingsong Zhang
9:40 AMToward pure electronic spectroscopy
Vladimir S. Petrovic, Robert W. Field
10:00 AMIntermission
10:20 AMPhotoelectron spectroscopy of cyclic C5-nNnH5-n anions: Vibronic coupling in azole radicals and Jahn-Teller effects in cyclopentadienyl radical
W. Carl Lineberger, Takatoshi Ichino, John F Stanton
11:00 AMRecent advances in the calculation of photoelectron spectra involving strongly coupled electronic states
Michael S Schuurman, David R Yarkony
11:40 AMApplications of EOM-CC Dyson orbitals to photoionization and photodetachment of excited state and open-shell molecules
C. Melania Oana, Anna I. Krylov

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The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008