PHYSWednesday, August 20, 2008

8:00 AM-12:00 PM Loews -- Regency C1, Oral
Advances in the Electronic Structure of Transition Metal Systems and Organometallics
Organizer:Christopher J. Cramer
Organizer, Presiding:Mu-Hyun Baik
8:00 AMDensity functional theory investigation of ruthenium polypyridyl complexes for photoinduced water oxidation
Elena Jakubikova, Richard L. Martin, Enrique R. Batista
8:20 AMSpin dependent properties of open-shell transition metals: Experiment and quantum chemistry
Frank Neese, Dimitrios Pantazis, Maylis Orio, Dimitrios Liakos, Dmitry Ganyushin
9:00 AMWater oxidation catalysis using transition-metal complexes: What is the role of the metal when all the redox action is on noninnocent ligands?
James T. Muckerman, Ming-Kang Tsai, Etsuko Fujita
Paper Withdrawn
10:00 AMIntermission
10:40 AMA computational study of proximal influences on FeCO bonding and vibrational dynamics in {FeCO}6 porphyrinates
Kenton R. Rodgers, Douglas P. Linder
11:20 AMDensity functional studies on asymmetric homogeneous catalysis: Rh-catalyzed olefin hydrogenation
Walter Thiel, Klaus Angermund, Anoop Ayyappan, Martin Graf

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

The 236th ACS National Meeting, Philadelphia, PA, August 17-21, 2008