| 1 |
Proton Abstraction from DMEn center dot center dot center dot X+ by OH-, O-2(-), and XO2-, for X = Li, Na, and K: Implications for Li-O-2 Batteries
Bauschlicher CW, Papajak E, Haskins JB, Lawson JW
Journal of Physical Chemistry A, 123(23), 4942, 2019 |
| 2 |
Polarizable Molecular Dynamics and Experiments of 1,2-Dimethoxyethane Electrolytes with Lithium and Sodium Salts: Structure and Transport Properties
Liyana-Arachchi TP, Haskins JB, Burke CM, Diederichsen KM, McCloskey BD, Lawson JW
Journal of Physical Chemistry B, 122(36), 8548, 2018 |
| 3 |
Phenolic Polymer Solvation in Water and Ethylene Glycol, I: Molecular Dynamics Simulations
Bucholz EW, Haskins JB, Monk JD, Bauschlicher CW, Lawson JW
Journal of Physical Chemistry B, 121(13), 2839, 2017 |
| 4 |
Phenolic Polymer Solvation in Water and Ethylene Glycol, II: Ab Initio Computations
Bauschlicher CW, Bucholz EW, Haskins JB, Monk JD, Lawson JW
Journal of Physical Chemistry B, 121(13), 2852, 2017 |
| 5 |
Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability
Haskins JB, Bauschlicher CW, Lawson JW
Journal of Physical Chemistry B, 119(46), 14705, 2015 |
| 6 |
Molecular dynamics simulations of phenolic resin: Construction of atomistic models
Monk JD, Haskins JB, Bauschlicher CW, Lawson JW
Polymer, 62, 39, 2015 |
| 7 |
Structure and Energetics of Li+-(BF4-)(n') Li+-(FSI-)(n'), and Li+-(TFSI-)(n): Ab Initio and Polarizable Force Field Approaches
Bauschlicher CW, Haskins JB, Bucholz EW, Lawson JW, Borodin O
Journal of Physical Chemistry B, 118(36), 10785, 2014 |
| 8 |
Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4]
Haskins JB, Bennett WR, Wu JJ, Hernandez DM, Borodin O, Monk JD, Bauschlicher CW, Lawson JW
Journal of Physical Chemistry B, 118(38), 11295, 2014 |
