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
1699 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
507 2001 Modeling structural morphology of microporous carbons by reverse Monte Carlo KT Thomson, KE Gubbins
Langmuir 16 (13), 5761-5773, 2000
272 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
234 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
216 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
140 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
135 2003 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 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
114 2006 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
110 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
109 1996 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 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
100 2005 Embedded cluster (QM/MM) investigation of C6 diene cyclization in HZSM-5 YV Joshi, KT Thomson
Journal of Catalysis 230 (2), 440-463, 2005
91 2005 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
87 2008 A Quantum Chemical Study of Comparison of Various Propylene Epoxidation Mechanisms Using H2 O2 and TS-1 Catalyst DH Wells, AM Joshi, WN Delgass, KT Thomson
The Journal of Physical Chemistry B 110 (30), 14627-14639, 2006
87 2006 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
76 2006 First-principles study of high-pressure alumina polymorphs W Duan, RM Wentzcovitch, KT Thomson
Physical Review B 57 (17), 10363, 1998
76 1998 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
68 2006 