| Plant diversity and ecosystem productivity: theoretical considerations D Tilman, CL Lehman, KT Thomson Proceedings of the national academy of sciences 94 (5), 1857-1861, 1997 | 1784 | 1997 |
| Water in porous carbons JK Brennan, TJ Bandosz, KT Thomson, KE Gubbins Colloids and surfaces A: Physicochemical and engineering aspects 187, 539-568, 2001 | 526 | 2001 |
| Modeling structural morphology of microporous carbons by reverse Monte Carlo KT Thomson, KE Gubbins Langmuir 16 (13), 5761-5773, 2000 | 286 | 2000 |
| Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: a DFT study DH Wells Jr, WN Delgass Jr, KT Thomson Journal of the American Chemical Society 126 (9), 2956-2962, 2004 | 252 | 2004 |
| Adsorption of water in activated carbons: effects of pore blocking and connectivity JK Brennan, KT Thomson, KE Gubbins Langmuir 18 (14), 5438-5447, 2002 | 226 | 2002 |
| Molecular models of porous carbons TJ Bandosz, MJ Biggs, KE Gubbins, Y Hattori, T Uyama, K Kaneko, ... Chemistry & Physics of Carbon, 61-81, 2003 | 150 | 2003 |
| DFT investigation of alkoxide formation from olefins in H-ZSM-5 A Bhan, YV Joshi, WN Delgass, KT Thomson The Journal of Physical Chemistry B 107 (38), 10476-10487, 2003 | 143 | 2003 |
| Catalyst design: knowledge extraction from high-throughput experimentation JM Caruthers, JA Lauterbach, KT Thomson, V Venkatasubramanian, ... Journal of Catalysis 216 (1-2), 98-109, 2003 | 140 | 2003 |
| CO adsorption on pure and binary-alloy gold clusters: A quantum chemical study AM Joshi, MH Tucker, WN Delgass, KT Thomson The Journal of chemical physics 125 (19), 2006 | 119 | 2006 |
| Formation of hydrogen peroxide from H2 and O2 over a neutral gold trimer: A DFT study DH Wells Jr, WN Delgass, KT Thomson Journal of Catalysis 225 (1), 69-77, 2004 | 118 | 2004 |
| Density functional theory investigation of gold cluster geometry and gas-phase reactivity with DH Wells Jr, WN Delgass, KT Thomson The Journal of chemical physics 117 (23), 10597-10603, 2002 | 112 | 2002 |
| Polymorphs of alumina predicted by first principles: Putting pressure on the ruby pressure scale KT Thomson, RM Wentzcovitch, MST Bukowinski Science 274 (5294), 1880-1882, 1996 | 108 | 1996 |
| The roles of gallium hydride and Brønsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis YV Joshi, KT Thomson Catalysis today 105 (1), 106-121, 2005 | 106 | 2005 |
| Nitrogen adsorption in carbon aerogels: A molecular simulation study S Gavalda, KE Gubbins, Y Hanzawa, K Kaneko, KT Thomson Langmuir 18 (6), 2141-2151, 2002 | 105 | 2002 |
| Embedded cluster (QM/MM) investigation of C6 diene cyclization in HZSM-5 YV Joshi, KT Thomson Journal of Catalysis 230 (2), 440-463, 2005 | 94 | 2005 |
| A Quantum Chemical Study of Comparison of Various Propylene Epoxidation Mechanisms Using H2O2 and TS-1 Catalyst DH Wells, AM Joshi, WN Delgass, KT Thomson The Journal of Physical Chemistry B 110 (30), 14627-14639, 2006 | 92 | 2006 |
| Density functional theory investigation into structure and reactivity of prenucleation silica species CL Schaffer, KT Thomson The Journal of Physical Chemistry C 112 (33), 12653-12662, 2008 | 90 | 2008 |
| First-principles study of high-pressure alumina polymorphs W Duan, RM Wentzcovitch, KT Thomson Physical Review B 57 (17), 10363, 1998 | 79 | 1998 |
| Analysis of O2 Adsorption on Binary−Alloy Clusters of Gold: Energetics and Correlations AM Joshi, WN Delgass, KT Thomson The Journal of Physical Chemistry B 110 (46), 23373-23387, 2006 | 78 | 2006 |
| Direct probing of sorbent− solvent interactions for amylose tris (3, 5-dimethylphenylcarbamate) using infrared spectroscopy, X-ray diffraction, solid-state NMR, and dft modeling RB Kasat, Y Zvinevich, HW Hillhouse, KT Thomson, NH Linda Wang, ... The Journal of Physical Chemistry B 110 (29), 14114-14122, 2006 | 74 | 2006 |
