Wednesday, November 15, 2006: 3:15 PM-5:45 PM
Franciscan B (Hilton San Francisco)
#461 - Rational Catalyst Design II (20048)
Chair:James A. Dumesic
CoChair:Manos Mavrikakis
3:15 PMModel-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
3:36 PMMultiscale Model-Based Design of Experiments and Catalysts
Dionisios G. Vlachos
3:57 PMRational 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
4:18 PMGrafted Calixarenes for Rational Design of Catalysts and Adsorbents
Justin Notestein, Andrew Solovyov, Namal De Silva, Enrique Iglesia, Alexander Katz
4:39 PMElectrostatic “Nano-Engineering” of Promoted and Bimetallic Catalysts
Yuhui Zha, Lawrence D'Souza, John Regalbuto
5:00 PMCombined 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
5:21 PMA 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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