| 1 |
Resolving Heterogeneous Dynamics of Excess Protons in Aqueous Solution with Rate Theory
Roy S, Schenter GK, Napoli JA, Baer MD, Markland TE, Mundy CJ
Journal of Physical Chemistry B, 124(27), 5665, 2020 |
| 2 |
Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond (vol 678, pg 289, 2017)
Schran C, Marsalek O, Markland TE
Chemical Physics Letters, 712, 215, 2018 |
| 3 |
Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond
Schran C, Marsalek O, Markland TE
Chemical Physics Letters, 678, 289, 2017 |
| 4 |
Proton Network Flexibility Enables Robustness and Large Electric Fields in the Ketosteroid Isomerase Active Site
Wang L, Fried SD, Markland TE
Journal of Physical Chemistry B, 121(42), 9807, 2017 |
| 5 |
Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation
Lau VM, Pfalzgraff WC, Markland TE, Kanan MW
Journal of the American Chemical Society, 139(11), 4035, 2017 |
| 6 |
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
Ceriotti M, Fang W, Kusalik PG, McKenzie RH, Michaelides A, Morales MA, Markland TE
Chemical Reviews, 116(13), 7529, 2016 |
| 7 |
Interface-Limited Growth of Heterogeneously Nucleated Ice in Supercooled Water
Nistor RA, Markland TE, Berne BJ
Journal of Physical Chemistry B, 118(3), 752, 2014 |
| 8 |
A refined ring polymer contraction scheme for systems with electrostatic interactions
Markland TE, Manolopoulos DE
Chemical Physics Letters, 464(4-6), 256, 2008 |
