| 1 |
Solvation Induced Ring Puckering Effect in Fluorinated Prolines and Its Inclusion in Classical Force Fields
Muralidharan A, Schmidt JR, Yethiraj A
Journal of Physical Chemistry B, 124(28), 5899, 2020 |
| 2 |
Comment on "Solubilities of ammonia in basic imidazolium ionic liquids" [Fluid Phase Equilib. 297 (2010) 34-39]
Cui K, Schmidt JR
Fluid Phase Equilibria, 492, 78, 2019 |
| 3 |
Flexible and Transferable ab Initio Force Field for Zeolitic Imidazolate Frameworks: ZIF-FF
Weng TT, Schmidt JR
Journal of Physical Chemistry A, 123(13), 3000, 2019 |
| 4 |
Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions
Cui K, Yethiraj A, Schmidt JR
Journal of Physical Chemistry B, 123(43), 9222, 2019 |
| 5 |
In Situ, Time-Resolved, and Mechanistic Studies of Metal-Organic Framework Nucleation and Growth
Van Vleet MJ, Weng TT, Li XY, Schmidt JR
Chemical Reviews, 118(7), 3681, 2018 |
| 6 |
Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A
Journal of Physical Chemistry B, 120(1), 231, 2016 |
| 7 |
First-Principles United Atom Force Field for the Ionic Liquid BMIM+BF4-: An Alternative to Charge Scaling
Son CY, McDaniel JG, Schmidt JR, Cui Q, Yethiraj A
Journal of Physical Chemistry B, 120(14), 3560, 2016 |
| 8 |
Ab Initio Force Fields for Imidazolium-Based Ionic Liquids
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A
Journal of Physical Chemistry B, 120(28), 7024, 2016 |
| 9 |
Molecular bonding-based descriptors for surface adsorption and reactivity
Dunnington BD, Schmidt JR
Journal of Catalysis, 324, 50, 2015 |
| 10 |
Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide
Caban-Acevedo M, Stone ML, Schmidt JR, Thomas JG, Ding Q, Chang HC, Tsai ML, He JH, Jin S
Nature Materials, 14(12), 1245, 2015 |
