| Photoinduced activation of CO 2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook VP Indrakanti, JD Kubicki, HH Schobert Energy & Environmental Science 2 (7), 745-758, 2009 | 605 | 2009 |
| Kinetics of water-rock interaction SL Brantley, JD Kubicki, AF White Springer, 2008 | 383 | 2008 |
| Ion adsorption at the rutile− water interface: Linking molecular and macroscopic properties Z Zhang, P Fenter, L Cheng, NC Sturchio, MJ Bedzyk, M Předota, ... Langmuir 20 (12), 4954-4969, 2004 | 321 | 2004 |
| Electric double layer at the rutile (110) surface. 1. Structure of surfaces and interfacial water from molecular dynamics by use of ab initio potentials M Předota, AV Bandura, PT Cummings, JD Kubicki, DJ Wesolowski, ... The Journal of Physical Chemistry B 108 (32), 12049-12060, 2004 | 290 | 2004 |
| Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids adsorbed onto mineral surfaces JD Kubicki, LM Schroeter, MJ Itoh, BN Nguyen, SE Apitz Geochimica et Cosmochimica Acta 63 (18), 2709-2725, 1999 | 222 | 1999 |
| Derivation of Force Field Parameters for TiO2−H2O Systems from ab Initio Calculations AV Bandura, JD Kubicki The Journal of Physical Chemistry B 107 (40), 11072-11081, 2003 | 204 | 2003 |
| Molecular dynamics simulations of SiO 2 melt and glass; ionic and covalent models JD Kubicki, AC Lasaga American Mineralogist 73 (9-10), 941-955, 1988 | 175 | 1988 |
| Sorption of the antibiotic ofloxacin to mesoporous and nonporous alumina and silica KW Goyne, J Chorover, JD Kubicki, AR Zimmerman, SL Brantley Journal of colloid and interface science 283 (1), 160-170, 2005 | 170 | 2005 |
| Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: Calculation of vibrational frequencies and adsorption energies KD Kwon, JD Kubicki Langmuir 20 (21), 9249-9254, 2004 | 167 | 2004 |
| ATR-FTIR spectroscopic characterization of coexisting carbonate surface complexes on hematite JR Bargar, JD Kubicki, R Reitmeyer, JA Davis Geochimica et cosmochimica acta 69 (6), 1527-1542, 2005 | 164 | 2005 |
| Adsorption of water on the TiO2 (rutile)(110) surface: a comparison of periodic and embedded cluster calculations AV Bandura, DG Sykes, V Shapovalov, TN Troung, JD Kubicki, ... The Journal of Physical Chemistry B 108 (23), 7844-7853, 2004 | 161 | 2004 |
| Development of a reactive force field for iron− oxyhydroxide systems M Aryanpour, ACT van Duin, JD Kubicki The Journal of Physical Chemistry A 114 (21), 6298-6307, 2010 | 157 | 2010 |
| Tertiary model of a plant cellulose synthase L Sethaphong, CH Haigler, JD Kubicki, J Zimmer, D Bonetta, S DeBolt, ... Proceedings of the National Academy of Sciences 110 (18), 7512-7517, 2013 | 155 | 2013 |
| Dissolution of nepheline, jadeite and albite glasses: toward better models for aluminosilicate dissolution JP Hamilton, SL Brantley, CG Pantano, LJ Criscenti, JD Kubicki Geochimica et Cosmochimica Acta 65 (21), 3683-3702, 2001 | 155 | 2001 |
| Simulations of the quartz (1011)/water interface: a comparison of classical force fields, ab initio molecular dynamics, and X-ray reflectivity experiments AA Skelton, P Fenter, JD Kubicki, DJ Wesolowski, PT Cummings The Journal of Physical Chemistry C 115 (5), 2076-2088, 2011 | 145 | 2011 |
| Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: Implications for arsenic (III) oxidation M Zhu, KW Paul, JD Kubicki, DL Sparks Environmental science & technology 43 (17), 6655-6661, 2009 | 145 | 2009 |
| Adhesion of bacterial exopolymers to α-FeOOH: Inner-sphere complexation of phosphodiester groups A Omoike, J Chorover, KD Kwon, JD Kubicki Langmuir 20 (25), 11108-11114, 2004 | 134 | 2004 |
| Models of natural organic matter and interactions with organic contaminants JD Kubicki, SE Apitz Organic Geochemistry 30 (8), 911-927, 1999 | 126 | 1999 |
| Silicate glass and mineral dissolution: calculated reaction paths and activation energies for hydrolysis of a Q3 Si by H3O+ using ab initio methods LJ Criscenti, JD Kubicki, SL Brantley The Journal of Physical Chemistry A 110 (1), 198-206, 2006 | 123 | 2006 |
| Quantum Mechanical Modeling of CO2 Interactions with Irradiated Stoichiometric and Oxygen-Deficient Anatase TiO2 Surfaces: Implications for the Photocatalytic Reduction … VP Indrakanti, HH Schobert, JD Kubicki Energy & Fuels 23 (10), 5247-5256, 2009 | 121 | 2009 |
