| 1 |
Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields
Bedrov D, Piquemal JP, Borodin O, MacKerell AD, Roux B, Schroder C
Chemical Reviews, 119(13), 7940, 2019 |
| 2 |
Charge Transport in [Li(tetraglyme)][bis(trifluoromethane) sulfonimide] Solvate Ionic Liquids: Insight from Molecular Dynamics Simulations
Dong DP, Bedrov D
Journal of Physical Chemistry B, 122(43), 9994, 2018 |
| 3 |
Structural and Dynamical Properties of Tetraalkylammonium Bromide Aqueous Solutions: A Molecular Dynamics Simulation Study Using a Polarizable Force Field
Dong DP, Hooper JB, Bedrov D
Journal of Physical Chemistry B, 121(18), 4853, 2017 |
| 4 |
Molecular Dynamics Simulation of Alkylthiol Self-Assembled Monolayers on Liquid Mercury
Iakovlev A, Bedrov D, Muller M
Langmuir, 33(3), 744, 2017 |
| 5 |
Flow-Tube Investigations of Hypergolic Reactions of a Dicyanamide Ionic Liquid Via Tunable Vacuum Ultraviolet Aerosol Mass Spectrometry
Chambreau SD, Koh CJ, Popolan-Vaida DM, Gallegos CJ, Hooper JB, Bedrov D, Vaghjiani GL, Leone SR
Journal of Physical Chemistry A, 120(41), 8011, 2016 |
| 6 |
Photoinduced and Thermal Relaxation in Surface-Grafted Azobenzene-Based Monolayers: A Molecular Dynamics Simulation Study
Bedrov D, Hooper JB, Glaser MA, Clark NA
Langmuir, 32(16), 4004, 2016 |
| 7 |
Effect of Organic Solvents on Li+ Ion Solvation and Transport in Ionic Liquid Electrolytes: A Molecular Dynamics Simulation Study
Li Z, Borodin O, Smith GD, Bedrov D
Journal of Physical Chemistry B, 119(7), 3085, 2015 |
| 8 |
A comparative study of alkylimidazolium room temperature ionic liquids with FSI and TFSI anions near charged electrodes
Hu ZZ, Vatamanu J, Borodin O, Bedrov D
Electrochimica Acta, 145, 40, 2014 |
| 9 |
Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF
Bedrov D, Smith GD, van Duin ACT
Journal of Physical Chemistry A, 116(11), 2978, 2012 |
| 10 |
Li+ Salvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study
Li Z, Smith GD, Bedrov D
Journal of Physical Chemistry B, 116(42), 12801, 2012 |
