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Kinetic Modeling of 1-Hexene Polymerization Catalyzed by Zr(tBu-(ONO)-O-NMe2)Bn-2/B(C6F5)(3) Switzer JM, Travia NE, Steelman DK, Medvedev GA, Thomson KT, Delgass WN, Abu-Omar MM, Caruthers JM Macromolecules, 45(12), 4978, 2012 |
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Mechanistic Detail Revealed via Comprehensive Kinetic Modeling of [rac-C2H4(1-indenyl)(2)ZrMe2]-Catalyzed 1-Hexene Polymerization Novstrup KA, Travia NE, Medvedev GA, Stanciu C, Switzer JM, Thomson KT, Delgass WN, Abu-Omar MM, Caruthers JM Journal of the American Chemical Society, 132(2), 558, 2010 |
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High ethane dehydrogenation activity of [GaH](2+)-Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions Joshi YV, Thomson KT Journal of Catalysis, 246(2), 249, 2007 |
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Structure-activity correlation in titanium single-site olefin polymerization catalysts containing mixed cyclopentadienyl/aryloxide ligation Manz TA, Phomphrai K, Medvedev G, Krishnamurthy BB, Sharma S, Haq J, Novstrup KA, Thomson KT, Delgass WN, Caruthers JM, Abu-Omar MM Journal of the American Chemical Society, 129(13), 3776, 2007 |
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Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: A density functional theory study Joshi AM, Delgass WN, Thomson KT Journal of Physical Chemistry B, 110(6), 2572, 2006 |
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Direct probing of sorbent-solvent interactions for amylose tris(3,5-dimethylphenylcarbamate) using infrared spectroscopy, X-ray diffraction, solid-state NMR, and DFT modeling Kasat RB, Zvinevich Y, Hillhouse HW, Thomson KT, Wang NHL, Franses EI Journal of Physical Chemistry B, 110(29), 14114, 2006 |
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A quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 catalyst Wells DH, Joshi AM, Delgass WN, Thomson KT Journal of Physical Chemistry B, 110(30), 14627, 2006 |
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Adsorption of small Au-n (n=1-5) and Au-Pd clusters inside the TS-1 and S-1 pores Joshi AM, Delgass WN, Thomson KT Journal of Physical Chemistry B, 110(33), 16439, 2006 |
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Analysis of O-2 adsorption on binary-alloy clusters of gold: Energetics and correlations Joshi AM, Delgass WN, Thomson KT Journal of Physical Chemistry B, 110(46), 23373, 2006 |
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The roles of gallium hydride and Bronsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis Joshi YV, Thomson KT Catalysis Today, 105(1), 106, 2005 |