| 1 |
Impact of Adsorbed Water on the Interaction of Limonene with Hydroxylated SiO2: Implications of pi-Hydrogen Bonding for Surfaces in Humid Environments
Frank ES, Fan HY, Shrestha M, Riahi S, Tobias DJ, Grassian VH
Journal of Physical Chemistry A, 124(50), 10592, 2020 |
| 2 |
Multiscale Modeling of Human Skin Oil-Induced Indoor Air Chemistry: Combining Kinetic Models and Molecular Dynamics
von Domaros M, Lakey PSJ, Shiraiwa M, Tobias DJ
Journal of Physical Chemistry B, 124(18), 3836, 2020 |
| 3 |
Experimental and Simulation Studies of Aquaporin 0 Water Permeability and Regulation
Hall JE, Freites JA, Tobias DJ
Chemical Reviews, 119(9), 6015, 2019 |
| 4 |
Structural Relaxation Processes and Collective Dynamics of Water in Biomolecular Environments
Capponi S, White SH, Tobias DJ, Heyden M
Journal of Physical Chemistry B, 123(2), 480, 2019 |
| 5 |
Specific Anion Effects on Na+ Adsorption at the Aqueous Solution-Air Interface: MD Simulations, SESSA Calculations, and Photoelectron Spectroscopy Experiments
Olivieri G, Parry KM, D'Auria R, Tobias DJ, Brown MA
Journal of Physical Chemistry B, 122(2), 910, 2018 |
| 6 |
Solvent-Shared Ion Pairs at the Air-Solution Interface of Magnesium Chloride and Sulfate Solutions Revealed by Sum Frequency Spectroscopy and Molecular Dynamics Simulations
Gotte L, Parry KM, Hua W, Verreault D, Allen HC, Tobias DJ
Journal of Physical Chemistry A, 121(34), 6450, 2017 |
| 7 |
Atomistic Modeling of Ion Conduction through the Voltage-Sensing Domain of the Shaker K+ Ion Channel
Wood ML, Freites JA, Tombola F, Tobias DJ
Journal of Physical Chemistry B, 121(15), 3804, 2017 |
| 8 |
Multi-Conformation Monte Carlo: A Method for Introducing Flexibility in Efficient Simulations of Many-Protein Systems
Prytkova V, Heyden M, Khago D, Freites JA, Butts CT, Martin RW, Tobias DJ
Journal of Physical Chemistry B, 120(33), 8115, 2016 |
| 9 |
Specific ion interactions with aromatic rings in aqueous solutions: Comparison of molecular dynamics simulations with a thermodynamic solute partitioning model and Raman spectroscopy
Vincent JC, Matt SM, Rankin BM, D'Auria R, Freites JA, Ben-Amotz D, Tobias DJ
Chemical Physics Letters, 638, 1, 2015 |
| 10 |
A comment on "pH and the surface tension of water" (J. K. Beattie, A. M. Djerdjev, A. Gray-Weale, N. Kallay, J. Lutzenkirchen, T. Preocanin, A. Selmani, J. Colloid Interface Sci. 422 (2014) 54.)
Jungwirth P, Tobias DJ
Journal of Colloid and Interface Science, 448, 593, 2015 |
