A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-Zsm-5
Niels Hansen, Department of Chemical Engineering, Hamburg University of Technology, Eissendorfer Str. 38, Hamburg, 21073, Germany, Andreas Heyden, Department of Chemistry, University of Minnesota, 228 Smith Hall, 207 Pleasant Street S.E., Minneapolis, MN 55455, Alexis T. Bell, University of California, Berkeley, Department of Chemical Engineering, 107 Gilman Hall, Berkeley, CA 94720 and Frerich J. Keil, Department of Chemical Engineering, Hamburg University of Technology, Hamburg, D-21073, Germany |
A First Principles Analysis of the Ensemble Effects in the Synthesis of Vinyl Acetate over Pd/Au Substrates
Craig P. Plaisance, Department of Chemical Engineering, University of Virginia, 102 Engineers' Way, PO Box 400741, Charlottesville, VA 22904-4741 and Matthew Neurock, University of Virginia, 102 Engineers' Way, Charlottesville, VA 22904 |
Molecular Dynamics Simulations of the Dissociation of Hydrogen on Single Crystal Surfaces Using Neural Networks
Jeffery J. Ludwig, University of Delaware, 235 Colburn Lab, Newark, DE 19716 and Dionisios G. Vlachos, University of Delaware, Department of Chemical Engineering, 150 Academy St., 325 Colubrn Lab, Newark, DE 19716 |
First Principles and Kinetic Monte Carlo Investigations of Pd-Based Metallic Membranes for Hydrogen Separation
Joydeep Mukherjee, Chemical Engineering, University of Michigan, Dept. of Chemical Engineering, 2300 Hayward Street, Ann Arbor, MI 48109-2136 and Suljo Linic, Department of Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 |
A Detailed Theoretical Study of the Mechanism and Energetics of Methane to Methanol Conversion by Cis-Platin and Catalytica
Ankan Paul, Chemical Engineering, Stanford University, 380 Roth Way, Stanford, CA 94305-5025 and Charles B. Musgrave, Stanford University, Dept. of Chemical Engineering, Stanford, CA 94305-5025 |
Dft-Based Thermodynamic Analysis of Reactivity of Ptxpdy Alloy Clusters
Sergio R. Calvo, Department of Chemical Engineering, Texas A&M University, 402 Nagle St. apt. 201, College Station, TX 77840 and Perla B. Balbuena, Chemical Engineering, Texas A&M University, DEPARTMENT OF CHEMICAL ENGINEERING, College Station, TX 77843 |
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