Nitrous Oxide Decomposition over Fe-Zsm-5 in the Presence of Nitric Oxide: a Comprehensive Dft Study
Andreas Heyden, Department of Chemistry, University of Minnesota, 228 Smith Hall, 207 Pleasant Street S.E., Minneapolis, MN 55455, Niels Hansen, Department of Chemical Engineering, Hamburg University of Technology, Eissendorfer Str. 38, Hamburg, 21073, Germany, 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 Theoretical Comparative Study of Fischer-Tropsch Synthesis on Fe and Co Surfaces
Rahul Nabar1, Amit A. Gokhale1 and Manos Mavrikakis2, (1)UW-Madison, 1415 Engineering Dr., Madison, WI 53706, (2)Department of Chemical Engineering, University of Wisconsin - Madison, 1415 Engineering Dr., Madison, WI 53706 |
Heterogeneous Catalysis by Gold: Oxide-Specific O2 Interactions with Supported Gold
Siris Laursen, Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 and Suljo Linic, Department of Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 |
A Dft Study of Olefin Polymerization by Ti and Zr Single-Site Catalysts Containing Mixed Cyclopentadienyl/Aryloxide Ligation
Thomas A. Manz1, Grigori Medvedev1, Krista A. Novstrup1, W. Nicholas Delgass1, Mahdi Abu-Omar2, Kendall T. Thomson1 and James M. Caruthers1, (1)School of Chemical Engineering, Purdue University, Forney Hall of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, IN 47907-2100, (2)Department of Chemistry, Purdue University, West Lafayette, IN 47907 |
Correlating Electronic Properties of Bimetallic Surfaces with Reaction Pathways of C2 Hydrocarbons
Amit Goda, Mark A. Barteau and Jingguang G. Chen, Chemical Engineering, University of Delaware, 150 Academy Street, Newark, DE 19716 |
Ab Initio Studies of Oxygen Electroreduction on Pd and Pd/3d Metal Alloys
Eduardo J. Lamas and Perla B. Balbuena, Chemical Engineering, Texas A&M, 3122 TAMU, College Station, TX 77843 |
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