[Todos] SEMINARIO HOY

[Fernando V. Molina]

Lunes 25 de agosto de 2008 - 13 hs

Aula Dr. Busch, Dpto. de Quimica Inorganica, 1er piso Pab. II


Dr. Sebastian Kozuch
The Lise Meitner-Minerva Center for Computational Quantum Chemistry.
Hebrew University of Jerusalem


Energetic span in catalytic cycles


Abstract:
With the development of computational tools the calculation of the 
reaction pathway for catalytic cyclic systems has become routine for 
organometallic catalysts. But still a missing link between the 
calculated reaction profile and the kinetics of a general catalytic 
cycle makes it impossible to resolve the basic question: What makes 
for a good catalytic cycle?  
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