Computational Catalysis IV | AIChE

Other Sites & Tools

Technical Groups

Computational Catalysis IV

Chair(s)

Meyer, R. J., University of Illinois - Chicago

Co-chair(s)

Grabow, L. C., University of Houston

See description for Computational Catalysis I

Presentations

8:30 AM
(394a) Surface Oxides: Thermodynamics and Energetic Correlations for Surface Oxides of Transition Metal Surfaces
8:51 AM
(394b) Study of the Surface Reactivity of a Selective Catalytic Reduction (SCR) Catalyst: V2O5
9:12 AM
(394c) A First Principles Analysis of Methanol Dehydration Over Tungstated Zirconia
9:33 AM
(394d) First Principles Study of Propane Oxidation On Supported and Unsupported V2O5 Catalysts: C-H Bond Activation and Reaction Path Analysis
9:54 AM
(394e) Probing the Mechanism of Propane Ammoxidation Over Mo-V-Te-Nb-O Catalyst – Insights From First-Principles Calculations
10:15 AM
(394f) Structural Stability and Catalytic Activity of Lanthanum-Based Perovskite Oxides
10:36 AM
(394g) A DFT Study of Peroxide Decomposition Over Copper Paddlewheels within Metal-Organic Frameworks

Topics 

Catalysis
Materials
Nanotechnology

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

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

More Conference Links