Computational Catalysis V: Porous, Organic, Homogeneous, and Enzymatic Catalysis | AIChE

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Computational Catalysis V: Porous, Organic, Homogeneous, and Enzymatic Catalysis

Chair(s)

Keith, J., University of Pittsburgh

Co-chair(s)

McEwen, J. S., Washington State University

Computational Catalysis V: Porous, Organic, Homogeneous, and Enzymatic Catalysis

Presentations

3:15 PM
(375a) Computational Mechanistic Investigation of the Phillips Polymerization Catalyst
3:35 PM
(375b) Computational Design of Zr and Hf Organometallic Catalysts for Direct Propene Epoxidation Using Molecular Oxygen Oxidant
3:55 PM
(375c) Adsorption of Organonitrogen Compounds on Promoted Molybdenum Sulfide Catalysts: A DFT Study on Nimos and Comos
4:15 PM
(375d) Effects of Porphyrin Composition and Axial Ligand on the Kinetics of Di-Olefin Epoxidation Catalyzed By Fe-Porphyrin Complexes: A DFT Study
4:35 PM
(375e) First Principles Simulation of NO Oxidation on Cu-SSZ-13 Zeolite Catalyst
4:55 PM
(375f) Elucidating the Role of Water in Olefin Epoxidation Catalyzed By Methyltrioxorhenium
5:15 PM
(375g) Elucidating the Mechanism of Phenol Deoxygenation to Benzene on an Fe Surface: A Detailed Mechanistic Study from First Principles

Topics 

Catalysis

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Non-Members $225.00

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