| 1 |
Metastable structures and isotope exchange reactions in polyoxometalate ions provide a molecular view of oxide dissolution
Rustad JR, Casey WH
Nature Materials, 11(3), 223, 2012 |
| 2 |
Influence of Explicit Hydration Waters in Calculating the Hydrolysis Constants for Geochemically Relevant Metals
Wander MCF, Rustad JR, Casey WH
Journal of Physical Chemistry A, 114(4), 1917, 2010 |
| 3 |
Dissolution of insulating oxide materials at the molecular scale
Ohlin CA, Villa EM, Rustad JR, Casey WH
Nature Materials, 9(1), 11, 2010 |
| 4 |
Theoretical Determination of the NMR Spectrum of Liquid Ethanol
Zarzycki P, Rustad JR
Journal of Physical Chemistry A, 113(1), 291, 2009 |
| 5 |
Prediction of Iron-Isotope Fractionation Between Hematite (alpha-Fe2O3) and Ferric and Ferrous Iron in Aqueous Solution from Density Functional Theory
Rustad JR, Dixon DA
Journal of Physical Chemistry A, 113(44), 12249, 2009 |
| 6 |
Isotope-Exchange Dynamics in Isostructural Decametalates with Profound Differences in Reactivity
Villa EM, Ohlin CA, Rustad JR, Casey WH
Journal of the American Chemical Society, 131(45), 16488, 2009 |
| 7 |
Quantum-chemical calculations of carbon-isotope fractionation in CO2(g), aqueous carbonate species, and carbonate minerals
Rustad JR, Nelmes SL, Jackson VE, Dixon DA
Journal of Physical Chemistry A, 112(3), 542, 2008 |
| 8 |
Calculating geochemical reaction pathways - Exploration of the inner-sphere water exchange mechanism in Al(H2O)(6)(3+)(aq)+nH(2)O with ab initio calculations and molecular dynamics
Evans RJ, Rustad JR, Casey WH
Journal of Physical Chemistry A, 112(17), 4125, 2008 |
| 9 |
Mechanism of the Hydration of Carbon Dioxide: Direct Participation of H2O versus Microsolvation
Nguyen MT, Matus MH, Jackson VE, Ngan VT, Rustad JR, Dixon DA
Journal of Physical Chemistry A, 112(41), 10386, 2008 |
| 10 |
Calculation of water-exchange rates on aqueous polynuclear clusters and at oxide-water interfaces
Wang JW, Rustad JR, Casey WH
Inorganic Chemistry, 46(8), 2962, 2007 |
