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 | 371 | 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 | 338 | 2004 |
From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model P Paricaud, M Předota, AA Chialvo, PT Cummings The Journal of chemical physics 122 (24), 2005 | 278 | 2005 |
Water in carbon nanotubes: Adsorption isotherms and thermodynamic properties from molecular simulation A Striolo, AA Chialvo, KE Gubbins, PT Cummings The Journal of chemical physics 122 (23), 2005 | 276 | 2005 |
Water adsorption in carbon-slit nanopores A Striolo, AA Chialvo, PT Cummings, KE Gubbins Langmuir 19 (20), 8583-8591, 2003 | 244 | 2003 |
Solute‐induced effects on the structure and thermodynamics of infinitely dilute mixtures AA Chialvo, PT Cummings AIChE journal 40 (9), 1558-1573, 1994 | 209 | 1994 |
Engineering a simple polarizable model for the molecular simulation of water applicable over wide ranges of state conditions AA Chialvo, PT Cummings The Journal of chemical physics 105 (18), 8274-8281, 1996 | 208 | 1996 |
Na+–Cl− ion pair association in supercritical water AA Chialvo, PT Cummings, HD Cochran, JM Simonson, RE Mesmer The Journal of chemical physics 103 (21), 9379-9387, 1995 | 184 | 1995 |
Hydrogen bonding in supercritical water AA Chialvo, PT Cummings The Journal of chemical physics 101 (5), 4466-4469, 1994 | 162 | 1994 |
Microstructure of ambient and supercritical water. Direct comparison between simulation and neutron scattering experiments AA Chialvo, PT Cummings The Journal of Physical Chemistry 100 (4), 1309-1316, 1996 | 160 | 1996 |
Determination of the Gibbs free energy of gas replacement in SI clathrate hydrates by molecular simulation EM Yezdimer, PT Cummings, AA Chialvo The journal of physical chemistry A 106 (34), 7982-7987, 2002 | 146 | 2002 |
Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory H Zhou, P Ganesh, V Presser, MCF Wander, P Fenter, PRC Kent, D Jiang, ... Physical Review B—Condensed Matter and Materials Physics 85 (3), 035406, 2012 | 144 | 2012 |
Molecular dynamics study of the structure and thermophysical properties of model sI clathrate hydrates AA Chialvo, M Houssa, PT Cummings The Journal of Physical Chemistry B 106 (2), 442-451, 2002 | 142 | 2002 |
Supercritical fluid behavior at nanoscale interfaces: Implications for CO2 sequestration in geologic formations DR Cole, AA Chialvo, G Rother, L Vlcek, PT Cummings Philosophical Magazine 90 (17-18), 2339-2363, 2010 | 131 | 2010 |
Molecular‐based modeling of water and aqueous solutions at supercritical conditions AA Chialvo, PT Cummings Advances in Chemical Physics 109, 115-205, 1999 | 119 | 1999 |
Simulated water adsorption isotherms in carbon nanopores A Striolo, KE Gubbins, AA Chialvo, PT Cummings Molecular Physics 102 (3), 243-251, 2004 | 110 | 2004 |
The structure of aqueous solutions over a wide range of concentration. Interpretation of diffraction experiments via molecular simulation AA Chialvo, JM Simonson The Journal of chemical physics 119 (15), 8052-8061, 2003 | 106 | 2003 |
Effect of temperature on the adsorption of water in porous carbons A Striolo, KE Gubbins, MS Gruszkiewicz, DR Cole, JM Simonson, ... Langmuir 21 (21), 9457-9467, 2005 | 99 | 2005 |
Simulated water adsorption in chemically heterogeneous carbon nanotubes A Striolo, AA Chialvo, PT Cummings, KE Gubbins The Journal of chemical physics 124 (7), 2006 | 97 | 2006 |
Molecular dynamics study of solute-solute microstructure in attractive and repulsive supercritical mixtures AA Chialvo, PG Debenedetti Industrial & engineering chemistry research 31 (5), 1391-1397, 1992 | 95 | 1992 |