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Kendall T. Thomson - Publications

Affiliations: 
Chemical Engineering Purdue University, West Lafayette, IN, United States 
Area:
Chemical Engineering, Physical Chemistry
Website:
https://engineering.purdue.edu/ChE/people/ptProfile?resource_id=23542
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53 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2012 Manz TA, Caruthers JM, Sharma S, Phomphrai K, Thomson KT, Nicholas Delgass W, Abu-Omar MM. Structureactivity correlation for relative chain initiation to propagation rates in single-site olefin polymerization catalysis Organometallics. 31: 602-618. DOI: 10.1021/Om200884X  0.746
2012 Switzer JM, Travia NE, Steelman DK, Medvedev GA, Thomson KT, Delgass WN, Abu-Omar MM, Caruthers JM. Kinetic modeling of 1-hexene polymerization catalyzed by Zr(t Bu-ON NMe 2O)Bn 2/B(C 6F 5) 3 Macromolecules. 45: 4978-4988. DOI: 10.1021/Ma300129N  0.679
2010 Novstrup KA, Travia NE, Medvedev GA, Stanciu C, Switzer JM, Thomson KT, Delgass WN, Abu-Omar MM, Caruthers JM. Mechanistic detail revealed via comprehensive kinetic modeling of [rac-C(2)H4(1-indenyl)2ZrMe2]-catalyzed 1-hexene polymerization. Journal of the American Chemical Society. 132: 558-66. PMID 20030387 DOI: 10.1021/Ja906332R  0.697
2009 Joshi YV, Ghosh P, Venkataraman PS, Delgass WN, Thomson KT. Electronic descriptors for the adsorption energies of sulfur-containing molecules on co/mos2, using dft calculations Journal of Physical Chemistry C. 113: 9698-9709. DOI: 10.1021/Jp809981C  0.574
2008 Schaffer CL, Thomson KT. Density functional theory investigation into structure and reactivity of prenucleation silica species Journal of Physical Chemistry C. 112: 12653-12662. DOI: 10.1021/Jp066534P  0.77
2007 Manz TA, Phomphrai K, Medvedev G, Krishnamurthy BB, Sharma S, Haq J, Novstrup KA, Thomson KT, Delgass WN, Caruthers JM, Abu-Omar MM. Structure-activity correlation in titanium single-site olefin polymerization catalysts containing mixed cyclopentadienyl/aryloxide ligation. Journal of the American Chemical Society. 129: 3776-7. PMID 17348648 DOI: 10.1021/Ja0640849  0.768
2007 Joshi AM, Delgass WN, Thomson KT. Mechanistic implications of Aun/Ti-lattice proximity for propylene epoxidation Journal of Physical Chemistry C. 111: 7841-7844. DOI: 10.1021/Jp072873M  0.599
2007 Joshi AM, Delgass WN, Thomson KT. Interaction of carbon monoxide with small gold clusters inside TS-1 pores Journal of Physical Chemistry C. 111: 11424-11436. DOI: 10.1021/Jp072833I  0.567
2007 Joshi AM, Delgass WN, Thomson KT. Adsorption of copper clusters in TS-1 pores: Ti versus Si and gold versus copper Journal of Physical Chemistry C. 111: 11888-11896. DOI: 10.1021/Jp0707079  0.55
2007 Joshi AM, Delgass WN, Thomson KT. Investigation of gold-silver, gold-copper, and gold-palladium dimers and trimers for hydrogen peroxide formation from H2 and O2 Journal of Physical Chemistry C. 111: 7384-7395. DOI: 10.1021/Jp066828A  0.582
2007 Joshi YV, Thomson KT. High ethane dehydrogenation activity of [GaH]2+{single bond}Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions Journal of Catalysis. 246: 249-265. DOI: 10.1016/J.Jcat.2006.11.032  0.373
2007 Joshi AM, Delgass WN, Thomson KT. H2 adsorption and H/D exchange on Au/TS-1 and Au/S-1 catalysts Topics in Catalysis. 44: 27-39. DOI: 10.1007/S11244-007-0275-Y  0.562
2006 Joshi AM, Tucker MH, Delgass WN, Thomson KT. CO adsorption on pure and binary-alloy gold clusters: a quantum chemical study. The Journal of Chemical Physics. 125: 194707. PMID 17129150 DOI: 10.1063/1.2375094  0.554
2006 Joshi AM, Delgass WN, Thomson KT. Analysis of O(2) adsorption on binary-alloy clusters of gold: energetics and correlations. The Journal of Physical Chemistry. B. 110: 23373-87. PMID 17107188 DOI: 10.1021/Jp063610F  0.557
2006 Joshi AM, Delgass WN, Thomson KT. Adsorption of small Au(n) (n = 1-5) and Au-Pd clusters inside the TS-1 and S-1 pores. The Journal of Physical Chemistry. B. 110: 16439-51. PMID 16913775 DOI: 10.1021/Jp061754O  0.584
2006 Wells DH, Joshi AM, Delgass WN, Thomson KT. A quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 Catalyst. The Journal of Physical Chemistry. B. 110: 14627-39. PMID 16869565 DOI: 10.1021/Jp062368+  0.6
2006 Joshi AM, Delgass WN, Thomson KT. Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: a density functional theory study. The Journal of Physical Chemistry. B. 110: 2572-81. PMID 16471857 DOI: 10.1021/Jp054809F  0.586
2006 Kasat RB, Chin CY, Thomson KT, Franses EI, Wang NHL. Interpretation of chromatographic retentions of simple solutes with an amylose-based sorbent using infrared spectroscopy and DFT modeling Adsorption. 12: 405-416. DOI: 10.1007/S10450-006-0568-7  0.306
2006 Kromer BR, Ribeiro FH, Thomson KT. A density functional theory investigation of methane activation on a palladium oxide catalyst Aiche Annual Meeting, Conference Proceedings.  0.781
2005 Joshi AM, Delgass WN, Thomson KT. Comparison of the catalytic activity of Au3, Au4+, Au5, and Au5- in the gas-phase reaction of H2 and O2 to form hydrogen peroxide: a density functional theory investigation. The Journal of Physical Chemistry. B. 109: 22392-406. PMID 16853917 DOI: 10.1021/Jp052653D  0.604
2005 Deskins NA, Lauterbach J, Thomson KT. Lifting the Pt[100] surface reconstruction through oxygen adsorption: a density functional theory analysis. The Journal of Chemical Physics. 122: 184709. PMID 15918749 DOI: 10.1063/1.1893718  0.668
2005 Manz TA, Fenwick AE, Phomphrai K, Rothwell IP, Thomson KT. The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation. Dalton Transactions (Cambridge, England : 2003). 668-74. PMID 15702176 DOI: 10.1039/B412455C  0.65
2005 Joshi YV, Thomson KT. Embedded cluster (QM/MM) investigation of C6 diene cyclization in HZSM-5 Journal of Catalysis. 230: 440-463. DOI: 10.1016/J.Jcat.2004.12.016  0.356
2005 Joshi YV, Thomson KT. The roles of gallium hydride and Brønsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis Catalysis Today. 105: 106-121. DOI: 10.1016/J.Cattod.2005.04.017  0.369
2005 Krishnamurthy G, Bhan A, Hsu SH, Joshi Y, Delgass WN, Caruthers JM, Blau GE, Thomson KT, Venkatasubramanian V. Modeling propane aromatization on Hzsm-5 and Ga/Hzsm-5 Aiche Annual Meeting, Conference Proceedings. 10177.  0.681
2005 Krishnamurthy G, Bhan A, Hsu SH, Joshi Y, Delgass WN, Caruthers JM, Blau GE, Thomson KT, Venkatasubramanian V. Modeling propane aromatization on Hzsm-5 and Ga/Hzsm-5 Aiche Annual Meeting, Conference Proceedings. 10177.  0.681
2005 Phatak AA, Lee KM, Figaro P, Rai S, Zhu G, Thomson KT, Delgass WN, Ribeiro FH. Study of water-gas shift (WGS) and methanation reaction on supported group VIIIB catalysts Aiche Annual Meeting, Conference Proceedings. 10057.  0.519
2005 Joshi AM, Delgass WN, Thomson KT. Hydrogen peroxide formation and propylene epoxidation on gas-phase au clusters Aiche Annual Meeting, Conference Proceedings. 11563.  0.495
2005 Manz TA, Thomson KT, Caruthers JM, Nicholas Delgass W, Abu-Omar M. Studies in reaction kinetics, density functional theory, and catalysis Aiche Annual Meeting, Conference Proceedings. 3416.  0.709
2005 Deskins NA, Phatak AA, Ribeiro FH, Thomson KT. Density functional study of adsorbates and cationic metal/ceria surfaces Aiche Annual Meeting, Conference Proceedings. 9686.  0.713
2005 Deskins NA, Phatak AA, Ribeiro FH, Thomson KT. Density functional study of adsorbates and cationic metal/ceria surfaces Aiche Annual Meeting, Conference Proceedings. 9686.  0.713
2005 Caruthers JM, Delgass WN, Abu-Omar M, Thomson KT, Venkatasubramanian V, Blau GE, Manz TA, Medvedev G, Haq J, Novstrup KA, Phomphrai K, Sharma S, Krishnamurthy BB. Discovery informatics for catalyst design: Single site olefin polymerization catalysts Aiche Annual Meeting, Conference Proceedings. 9761.  0.756
2005 Joshi AM, Delgass WN, Thomson KT. Hydrogen peroxide formation and propylene epoxidation on gas-phase au clusters Aiche Annual Meeting, Conference Proceedings. 11563.  0.495
2005 Kromer BR, Thomson KT, Ribeiro FH. A density functional theory study of methane activation on Pd/Pdo based catalysts Aiche Annual Meeting, Conference Proceedings. 9944.  0.776
2005 Manz TA, Thomson KT, Caruthers JM, Delgass WN. Olefin polymerization by single-site Ti and Zr aryloxide complexes Aiche Annual Meeting, Conference Proceedings. 10028.  0.734
2005 Schaffer CL, Thomson KT. Density functional theory investigation of the hydrolysis and condensation of polysilicic acid: A mechanistic and energetic analysis Aiche Annual Meeting, Conference Proceedings. 11416.  0.753
2004 Wells DH, Delgass WN, Thomson KT. Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: a DFT study. Journal of the American Chemical Society. 126: 2956-62. PMID 14995213 DOI: 10.1021/Ja037741V  0.599
2004 Joshi YV, Bhan A, Thomson KT. DFT-based reaction pathway analysis of hexadiene cyclization via carbenium ion intermediates: Mechanistic study of light alkane aromatization catalysis Journal of Physical Chemistry B. 108: 971-980. DOI: 10.1021/Jp036205M  0.34
2004 Wells DH, Delgass WN, Thomson KT. Formation of hydrogen peroxide from H2 and O2 over a neutral gold trimer: A DFT study Journal of Catalysis. 225: 69-77. DOI: 10.1016/J.Jcat.2004.03.028  0.596
2003 Bhan A, Joshi YV, Delgass WN, Thomson KT. DFT Investigation of Alkoxide Formation from Olefms in H-ZSM-5 Journal of Physical Chemistry B. 107: 10476-10487. DOI: 10.1021/Jp034382H  0.601
2003 Caruthers JM, Lauterbach JA, Thomson KT, Venkatasubramanian V, Snively CM, Bhan A, Katare S, Oskarsdottir G. Catalyst design: Knowledge extraction from high-throughput experimentation Journal of Catalysis. 216: 98-109. DOI: 10.1016/S0021-9517(02)00036-2  0.641
2002 Wells DH, Delgass WN, Thomson KT. Density functional theory investigation of gold cluster geometry and gas-phase reactivity with O2 Journal of Chemical Physics. 117: 10597-10603. DOI: 10.1063/1.1520137  0.588
2002 Brennan JK, Thomson KT, Gubbins KE. Adsorption of water in activated carbons: Effects of pore blocking and connectivity Langmuir. 18: 5438-5447. DOI: 10.1021/La0118560  0.686
2002 Gavalda S, Gubbins KE, Hanzawa Y, Kaneko K, Thomson KT. Nitrogen adsorption in carbon aerogels: A molecular simulation study Langmuir. 18: 2141-2151. DOI: 10.1021/La011132O  0.52
2001 Brennan JK, Bandosz TJ, Thomson KT, Gubbins KE. Water in porous carbons Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 539-568. DOI: 10.1016/S0927-7757(01)00644-6  0.661
2001 Gavalda S, Kaneko K, Thomson KT, Gubbins KE. Molecular modeling of carbon aerogels Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 531-538. DOI: 10.1016/S0927-7757(01)00641-0  0.498
2001 Pikunic J, Pellenq RJM, Thomson KT, Rouzaud JN, Levitz P, Gubbins KE. Improved molecular models for porous carbons Studies in Surface Science and Catalysis. 132: 647-652. DOI: 10.1016/S0167-2991(01)82174-1  0.748
2000 Thomson KT, McCormick AV, Davis HT. The effects of a dynamic lattice on methane self-diffusivity calculations in AlPO4-5 Journal of Chemical Physics. 112: 3345-3350. DOI: 10.1063/1.480917  0.611
2000 Thomson KT, Gubbins KE. Modeling structural morphology of microporous carbons by reverse Monte Carlo Langmuir. 16: 5761-5773. DOI: 10.1021/La991581C  0.444
1998 Duan W, Wentzcovitch RM, Thomson KT. First-principles study of high-pressure alumina polymorphs Physical Review B - Condensed Matter and Materials Physics. 57: 10363-10369. DOI: 10.1103/Physrevb.57.10363  0.504
1998 Thomson KT, Wentzcovitch RM. A density functional study of the electronic structure of sodalite Journal of Chemical Physics. 108: 8584-8588. DOI: 10.1063/1.476287  0.542
1998 Thomson KT, Wentzcovitch RM, McCormick A, Davis HT. A density functional study of sodalite: A new view on an old system Chemical Physics Letters. 283: 39-43. DOI: 10.1016/S0009-2614(97)01342-0  0.646
1996 Thomson KT, Wentzcovitch RM, Bukowinski MST. Polymorphs of Alumina Predicted by First Principles: Putting Pressure on the Ruby Pressure Scale Science (New York, N.Y.). 274: 1880-2. PMID 8943195 DOI: 10.1126/Science.274.5294.1880  0.498
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