Catalysis and Reaction Engineering Division

Session 461 - Rational Catalyst Design II
TBA
Chair:James A. Dumesic
CoChair:Manos Mavrikakis
 Model-Based Design of Single-Site Olefin Polymerization Catalysts
W. Nicholas Delgass, James M. Caruthers, Mahdi Abu-Omar, Kendall T. Thomson, Venkat Venkatasubramanian, Gary E. Blau, Khamphee Phomphrai, Grigori Medvedev, Corneliu Stanciu, Shalini Sharma, Thomas A. Manz, Jesmin Haq, Krista A. Novstrup, Balachandra B. Krishnamurthy
 Multiscale Model-Based Design of Experiments and Catalysts
Dionisios G. Vlachos
 Rational Design Supplemented by Serendipitous Discovery – Highly Active and Enantioselective Support-Tethered Co(III)-Salen Complexes for the Hydrolytic Kinetic Resolution of Epoxides
Xiaolai Zheng, Nam T. S. Phan, Marcus Weck, Christopher W. Jones
 Grafted Calixarenes for Rational Design of Catalysts and Adsorbents
Justin Notestein, Andrew Solovyov, Namal De Silva, Enrique Iglesia, Alexander Katz
 Electrostatic “Nano-Engineering” of Promoted and Bimetallic Catalysts
Yuhui Zha, Lawrence D'Souza, John Regalbuto
 Combined Group Contribution and Structure-Activity Relations for Ga/H-[Al]Zsm-5 Catalyzed Dehydrogenation of Alkanes Using Density Functional Theory
Yogesh V. Joshi, Kendall T. Thomson
 A Novel Computational Framework for the Rational Design of Shape Selective Separation and Catalysis
Chrysanthos E. Gounaris, Christodoulos A. Floudas, James Wei

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