PHYSSunday, April 6, 2008

8:00 AM-12:05 PM Morial Convention Center -- Rm. 345, Oral
Electronic Structure and Reaction Dynamics of Open-shell Species
Reactive Scattering and Energy Transfer
Organizers:Jingsong Zhang
Martin Head-Gordon
Presiding:Stephen J. Klippenstein
8:00 AMIntroductory Remarks
8:05 AMProbing dynamical resonances in the F + H2 reaction
Xueming Yang
8:45 AMCrossed-beams and theoretical studies of hyperthermal reactions of O(3P) with HCl and H2O
Timothy K. Minton, Jianming Zhang, Amy L. Brunsvold, Hari P. Upadhyaya, Jon P. Camden, Jeffrey T. Paci, Sophya Garashchuk, George C Schatz
9:25 AMElectronic polarization effects in the dynamics of the F/F*+ H2 reaction
Marcelo P. de Miranda, F. J. Aoiz, Vicente Sáez Rábanos, François Lique, Millard H. Alexander
9:45 AMTheoretical studies of the dynamics of X + CH4 (X=O,F,Cl,H) reactions
Diego Troya, Joshua P. Layfield
10:05 AMIntermission
10:25 AMCollisional quenching of OH A 2Σ+ radicals by H2: Dynamical signatures of passage through conical intersections
Logan P. Dempsey, Craig Murray, Patricia A. Cleary, Marsha I Lester
11:05 AMQuantum dynamics of H + O2 ↔ HO + O reactions
Hua Guo
11:45 AMAccurate potential energy surfaces involving transition metals: Applications of new correlation consistent basis sets and relativistic pseudopotentials for Sc through Hg
Kirk A. Peterson, Detlev Figgen, Michael Dolg, Hermann Stoll

Electronic Structure and Reaction Dynamics of Open-shell Species -- Next Session

Symposium Grid -- Division of Physical Chemistry -- Session Listing

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