| Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field RT Cygan, JJ Liang, AG Kalinichev The Journal of Physical Chemistry B 108 (4), 1255-1266, 2004 | 2800 | 2004 |
| Molecular controls on kaolinite surface charge PV Brady, RT Cygan, KL Nagy Journal of colloid and interface science 183 (2), 356-364, 1996 | 395 | 1996 |
| Molecular models and simulations of layered materials RT Cygan, JA Greathouse, H Heinz, AG Kalinichev Journal of Materials Chemistry 19 (17), 2470-2481, 2009 | 295 | 2009 |
| Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field RT Cygan, VN Romanov, EM Myshakin The Journal of Physical Chemistry C 116 (24), 13079-13091, 2012 | 288 | 2012 |
| Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation J Wang, AG Kalinichev, RJ Kirkpatrick, RT Cygan The Journal of Physical Chemistry B 109 (33), 15893-15905, 2005 | 258 | 2005 |
| Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: comparison of temperature, interlayer cation, and charge location effects SL Teich-McGoldrick, JA Greathouse, CF Jove-Colon, RT Cygan The Journal of Physical Chemistry C 119 (36), 20880-20891, 2015 | 221 | 2015 |
| Self-diffusion of magnesium in garnet at 750 degrees to 900 degrees C RT Cygan, AC Lasaga American Journal of Science 285 (4), 328-350, 1985 | 216 | 1985 |
| Molecular dynamics modeling of ion adsorption to the basal surfaces of kaolinite IF Vasconcelos, BA Bunker, RT Cygan The Journal of Physical Chemistry C 111 (18), 6753-6762, 2007 | 208 | 2007 |
| Water structure and aqueous uranyl (VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations JA Greathouse, RT Cygan Environmental science & technology 40 (12), 3865-3871, 2006 | 179 | 2006 |
| Molecular dynamics simulation of uranyl (VI) adsorption equilibria onto an external montmorillonite surface JA Greathouse, RT Cygan Physical Chemistry Chemical Physics 7 (20), 3580-3586, 2005 | 178 | 2005 |
| Ab initio determination of edge surface structures for dioctahedral 2: 1 phyllosilicates: Implications for acid-base reactivity BR Bickmore, KM Rosso, KL Nagy, RT Cygan, CJ Tadanier Clays and Clay Minerals 51 (4), 359-371, 2003 | 168 | 2003 |
| 133Cs NMR and XPS investigation of cesium adsorbed on clay minerals and related phases Y Kim, RT Cygan, RJ Kirkpatrick Geochimica et Cosmochimica Acta 60 (6), 1041-1052, 1996 | 157 | 1996 |
| 133Cs NMR study of cesium on the surfaces of kaolinite and illite Y Kim, RJ Kirkpatrick, RT Cygan Geochimica et Cosmochimica Acta 60 (21), 4059-4074, 1996 | 156 | 1996 |
| Molecular simulation of carbon dioxide, brine, and clay mineral interactions and determination of contact angles CM Tenney, RT Cygan Environmental science & technology 48 (3), 2035-2042, 2014 | 138 | 2014 |
| Molecular models for the intercalation of methane hydrate complexes in montmorillonite clay RT Cygan, S Guggenheim, AF Koster van Groos The Journal of Physical Chemistry B 108 (39), 15141-15149, 2004 | 133 | 2004 |
| A shell model for the simulation of rhombohedral carbonate minerals and their point defects DK Fisler, JD Gale, RT Cygan American Mineralogist 85 (1), 217-224, 2000 | 131 | 2000 |
| Molecular dynamics simulations of carbon dioxide intercalation in hydrated Na-montmorillonite EM Myshakin, WA Saidi, VN Romanov, RT Cygan, KD Jordan The Journal of Physical Chemistry C 117 (21), 11028-11039, 2013 | 129 | 2013 |
| Molecular modeling in mineralogy and geochemistry RT Cygan Reviews in Mineralogy and Geochemistry 42, 1-36, 2001 | 129 | 2001 |
| Advances in clayff molecular simulation of layered and nanoporous materials and their aqueous interfaces RT Cygan, JA Greathouse, AG Kalinichev The Journal of Physical Chemistry C 125 (32), 17573-17589, 2021 | 127 | 2021 |
| Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt) AG Kalinichev, RJ Kirkpatrick, RT Cygan American Mineralogist 85 (7-8), 1046-1052, 2000 | 127 | 2000 |
