COMPMonday, August 20, 2007

2:00 PM-5:10 PM BCEC -- 160B, Oral
Bold Predictions in Theoretical Chemistry: A Symposium in Honor of One of the Boldest, Bill Goddard, on the Occasion of his 70th Birthday
Homogeneous Catalysis
Organizers:Emily A. Carter
Mark S. Gordon
Presiding:Robert G. Parr
2:00 PMStitching with nitrogen
K. Barry Sharpless
2:35 PMBreakthroughs in oxidizing CH4 and prospects for the 21st century
Roy A. Periana
3:10 PMVirtually (im)possible: Computational design of novel C-H functionalization catalysts
Jonas Oxgaard, Jason Gonzales, Robert J. Nielsen, Zhitao Xu, Jason M. Keith, John A Keith, Sanja Pudar, Mu-Jeng Cheng, William A Goddard III
3:45 PMIntermission
4:00 PMUnderstanding bistable [2]rotaxanes in solid-state devices
J. Fraser Stoddart, William R. Dichtel
4:35 PMUsing quantum chemical simulations to engineer new homogeneous catalysts
Charles B. Musgrave, Paul Ankan, Lars P. C. Nielsen, Eric N. Jacobsen

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Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007