Computational Catalysis III | AIChE

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Computational Catalysis III

Chair(s)

Linic, S., University of Michigan-Ann Arbor

Co-chair(s)

Santiso, E. E., Massachusetts Institute of Technology

TBA

Presentations

3:15 PM
(529a) DFT Study of the Dissociation of H2O and H2 on áAl2O3 Supported Pt Clusters
3:40 PM
(529b) Insights into Partial Oxidation and Reforming of Ethane on Pt: Density Functional Theory
4:05 PM
(529c) DFT Analysis of the Quantitative Effects of Ion Pairing and Sterics for 1-Hexene Polymerization Catalyzed by Mixed Cp′/ArO Complexes
4:30 PM
(529d) A DFT Study of the Structure-Function-Performance Relationship of Group 4 Metallocenes
4:55 PM
(529e) First Principle Calculations of Supported Catalysts: CO Binding on MgO Supported Gold Clusters and Nanoparticles
5:20 PM
(529f) Theoretical Investigation of the Rh(TFA)3(CO)2 Catalyst for the Oxidative Carbonylation of Toluene to P-Toluic Acid

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Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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