The effects of charge transfer on the aqueous solvation of ions M Soniat, SW Rick The Journal of chemical physics 137 (4), 044511, 2012 | 86 | 2012 |
Dispersion-and exchange-corrected density functional theory for sodium ion hydration M Soniat, DM Rogers, SB Rempe Journal of chemical theory and computation 11 (7), 2958-2967, 2015 | 52 | 2015 |
Ion association in aqueous solution M Soniat, G Pool, L Franklin, SW Rick Fluid Phase Equilibria 407, 31-38, 2016 | 44 | 2016 |
Correction to Octa-Coordination and the Aqueous Ba2+ Ion MI Chaudhari, M Soniat, SB Rempe The Journal of Physical Chemistry B 119 (33), 10807-10807, 2015 | 41* | 2015 |
Octa-Coordination and the Aqueous Ba2+ Ion MI Chaudhari, M Soniat, SB Rempe The Journal of Physical Chemistry B 119 (28), 8746-8753, 2015 | 41 | 2015 |
Charge Transfer Models of Zinc and Magnesium in Water M Soniat, L Hartman, SW Rick Journal of chemical theory and computation 11 (4), 1658-1667, 2015 | 39 | 2015 |
Charge transfer effects of ions at the liquid water/vapor interface M Soniat, SW Rick The Journal of chemical physics 140 (18), 184703, 2014 | 37 | 2014 |
Swelling and Diffusion during Methanol Sorption into Hydrated Nafion M Soniat, FA Houle The Journal of Physical Chemistry B 122 (34), 8255-8268, 2018 | 21 | 2018 |
Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water M Soniat, R Kumar, SW Rick The Journal of chemical physics 143 (4), 044702, 2015 | 21 | 2015 |
Predictive simulation of non-steady-state transport of gases through rubbery polymer membranes M Soniat, M Tesfaye, D Brooks, B Merinov, WA Goddard III, AZ Weber, ... Polymer 134, 125-142, 2018 | 17 | 2018 |
Permeation of CO2 and N2 through glassy poly(dimethyl phenylene) oxide under steady‐ and presteady‐state conditions M Soniat, M Tesfaye, A Mafi, DJ Brooks, ND Humphrey, LC Weng, ... Journal of Polymer Science 58 (9), 1207-1228, 2020 | 11 | 2020 |
Toward predictive permeabilities: Experimental measurements and multiscale simulation of methanol transport in Nafion. FAH Marielle Soniat, Sarah M. Dischinger, Lien-Chun Weng, Hajhayra Martinez ... Journal of Polymer Science, 2021 | 8 | 2021 |
Octa-coordination and the hydrated Ba2+ (aq) ion MI Chaudhari, M Soniat, SB Rempe arXiv preprint arXiv:1410.3395, 2014 | 1 | 2014 |
Methanol transport in Nafion investigated with a combination of theory, simulation, and experiment M Soniat, D Miller, F Houle APS Meeting Abstracts, 2018 | | 2018 |
PB-SAM, a novel solution to the Poisson-Boltzmann equation for applications ranging from protein simulations to polymer membrane design L Felberg, M Soniat, D Brookes, E Yap, T Head-Gordon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
PB-SAM: A novel solution to the Poisson-Boltzmann equation for applications in polymer membrane design M Soniat, L Felberg, T Head-Gordon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
 Quasi-chemical theory for Ba2+ and Sr2+ hydration. MI Chaudhari, S Rempe, M Soniat Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2014 | | 2014 |
Charge transfer and polarizability in the KcsA potassium channel via molecular mechanics M Soniat, SB Rempe, SW Rick ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
Incorporation of Charge Transfer into Classical Molecular Dynamics Force Fields with Applications in Physical Chemistry M Soniat University of New Orleans, 2014 | | 2014 |
Effects of charge transfer on ion adsorption to the liquid water/vapor interface M Soniat, SW Rick ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |