PHYSMonday, August 18, 2008

1:15 PM-5:00 PM Loews -- Regency C1, Oral
Advances in the Electronic Structure of Transition Metal Systems and Organometallics
Organizer:Mu-Hyun Baik
Organizer, Presiding:Christopher J. Cramer
1:15 PMIntroductory Remarks
1:20 PMWater oxidation by a di-manganese catalyst: The effects of spin and electronic structure
Alex J. W. Thom, Martin Head-Gordon
1:40 PMDensity functional and QM/MM modeling of metal-containing protein active site chemsitry
Richard A. Friesner
2:20 PMLinking electronic properties with energetics in redox active metalloenzymes
Louis Noodleman, Vladimir Pelmenschikov, Wenge Han, James A. Fee, Michael Pique, David A. Case
3:00 PMIntermission
3:20 PMDFT study of a biomimetic model for the metalloenzyme peptide deformylase: Is the identity of the metal center significant?
Matthew F. Brown, Tommy C. Hatcher, Benjamin F. Gherman
4:00 PMChemistry of methanol steam reforming on transition metal alloy surfaces
Vicky Doan-Nguyen, Eseoghene Jeroro, Ilya Grinberg, Joseph W. Bennett, John M. Vohs, Andrew M. Rappe
4:20 PMTransition state structures in oxygen activation
Justine P. Roth

Advances in the Electronic Structure of Transition Metal Systems and Organometallics -- Next Session

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

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