PHYSThursday, August 21, 2008

1:20 PM-5:00 PM Loews -- Commonwealth C, Oral
Advances in the Electronic Structure of Transition Metal Systems and Organometallics
Organizer:Mu-Hyun Baik
Organizer, Presiding:Christopher J. Cramer
1:20 PMAb initio evaluation of Coulomb and exchange parameters for DFT+U theory: Application to transition metal oxides
Peilin Liao, Nicholas J. Mosey, Emily A Carter
1:40 PMTransition metal compounds with unusual bonds
Gernot Frenking
2:20 PMOrigin of reaction barriers and rational design in catalysis
F. Matthias Bickelhaupt
3:00 PMIntermission
3:20 PMElectronic structure and electrochemical properties of water oxidation catalyst: Theoretical study of the monomer of Tanaka's catalyst
Ming-Kang Tsai, James T. Muckerman, Etsuko Fujita
3:40 PMAccurate redox potential computations of mononuclear iron, manganese and nickel model complexes
E. W. Knapp, Artur Galstyan
4:20 PMCharging a 25-gold-atom nanoparticle with a molecular electric field
Rongchao Jin, Manzhou Zhu, Niti Garg
4:40 PMMechanics of hot electron generation during catalytic combustion over late transition metal surfaces
Sergey N. Maximoff, Martin Head-Gordon

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

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

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