Catalysis and Reaction Engineering Division |
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| Session 403 - Computational Catalysis I | |||
| TBA | |||
| Chair: | Suljo Linic | ||
| CoChair: | John Kitchin | ||
| CoSponsor(s): | Computational Molecular Science and Engineering Forum Low Pressure |
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| 403a | Nano-Scale Environmental Effects In the Reactivity of Platinum Clusters Ye Xu, Rachel B. Getman, William A. Shelton Jr., William F. Schneider |
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| 403b | Adsorbate-Adsorbate Interactions In Heterogeneous Catalysis: DFT and Ab Initio Thermodynamic Studies of Pressure- and Temperature-Dependant Impact of Alkalis on Oxidation Reactions Hongliang Xin, Suljo Linic |
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| 403c | Different Wetting Behaviors of Pd and Rh on the CeO2(111) Surface. A DFT and Hrtem Study Liang ChEn, Xiaoqing Pan, George Graham |
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| 403d | Density Functional Theory Study of NOx Storage Reduction Catalysts Randall Meyer, Jelena Jelic |
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| 403e | Support Effects on the Catalytic Properties of Pt-Au Bimetallic Nanoparticles. A Multi-Scale Simulation Study Brian H. Morrow, Alberto Striolo |
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| 403f | Theoretical and Experimental Studies of Hydrogen Production from Ammonia Decomposition Danielle A. Hansgen, Jingguang G. ChEn, Dion Vlachos |
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