| Deep eutectic solvents: A review of fundamentals and applications BB Hansen, S Spittle, B Chen, D Poe, Y Zhang, JM Klein, A Horton, ... Chemical reviews 121 (3), 1232-1285, 2020 | 2104 | 2020 |
| Hydroxide ion diffusion in anion-exchange membranes at low hydration: insights from ab initio molecular dynamics T Zelovich, L Vogt-Maranto, MA Hickner, SJ Paddison, C Bae, DR Dekel, ... Chemistry of Materials 31 (15), 5778-5787, 2019 | 97 | 2019 |
| State representation approach for atomistic time-dependent transport calculations in molecular junctions T Zelovich, L Kronik, O Hod Journal of chemical theory and computation 10 (8), 2927-2941, 2014 | 76 | 2014 |
| Ab initio molecular dynamics study of hydroxide diffusion mechanisms in nanoconfined structural mimics of anion exchange membranes T Zelovich, Z Long, M Hickner, SJ Paddison, C Bae, ME Tuckerman The Journal of Physical Chemistry C 123 (8), 4638-4653, 2019 | 61 | 2019 |
| Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems T Zelovich, T Hansen, ZF Liu, JB Neaton, L Kronik, O Hod The Journal of Chemical Physics 146 (9), 2017 | 53 | 2017 |
| Driven Liouville von Neumann equation in Lindblad form O Hod, CA Rodríguez-Rosario, T Zelovich, T Frauenheim The Journal of Physical Chemistry A 120 (19), 3278-3285, 2016 | 43 | 2016 |
| Molecule–lead coupling at molecular junctions: relation between the real-and state-space perspectives T Zelovich, L Kronik, O Hod Journal of chemical theory and computation 11 (10), 4861-4869, 2015 | 43 | 2015 |
| Driven Liouville von Neumann approach for time-dependent electronic transport calculations in a nonorthogonal basis-set representation T Zelovich, L Kronik, O Hod The Journal of Physical Chemistry C 120 (28), 15052-15062, 2016 | 37 | 2016 |
| Non-monotonic temperature dependence of hydroxide ion diffusion in anion exchange membranes T Zelovich, L Vogt-Maranto, C Simari, I Nicotera, MA Hickner, ... Chemistry of Materials 34 (5), 2133-2145, 2022 | 33 | 2022 |
| Water layering affects hydroxide diffusion in functionalized nanoconfined environments T Zelovich, ME Tuckerman The Journal of Physical Chemistry Letters 11 (13), 5087-5091, 2020 | 28 | 2020 |
| Hydronium ion diffusion in model proton exchange membranes at low hydration: insights from ab initio molecular dynamics T Zelovich, KI Winey, ME Tuckerman Journal of Materials Chemistry A 9 (4), 2448-2458, 2021 | 26 | 2021 |
| OH− and H3O+ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular Dynamics T Zelovich, ME Tuckerman Membranes 11 (5), 355, 2021 | 17 | 2021 |
| The impact of carbonation on hydroxide diffusion in nano-confined anion exchange membranes T Zelovich, C Simari, I Nicotera, DR Dekel, ME Tuckerman Journal of Materials Chemistry A 10 (20), 11137-11149, 2022 | 11 | 2022 |
| Precision of calculated static polarizabilities: Ga, In and Tl atoms A Borschevsky, T Zelovich, E Eliav, U Kaldor Chemical Physics 395, 104-107, 2012 | 10 | 2012 |
| Controlling hydronium diffusivity in model proton exchange membranes T Zelovich, ME Tuckerman The Journal of Physical Chemistry Letters 13 (9), 2245-2253, 2022 | 8 | 2022 |
| Relativistic coupled cluster calculation of Mössbauer isomer shifts of iodine compounds T Zelovich, A Borschevsky, E Eliav, U Kaldor Molecular Physics 115 (1-2), 138-143, 2017 | 6 | 2017 |
| Functional groups in anion exchange membranes: Insights from Ab initio molecular dynamics T Zelovich, DR Dekel, ME Tuckerman Journal of Membrane Science 678, 121638, 2023 | 4 | 2023 |
| A Green’s function approach for determining surface induced broadening and shifting of molecular energy levels T Zelovich, T Hansen, ME Tuckerman Nano Letters 22 (24), 9854-9860, 2022 | 4 | 2022 |
| Electrostatic Potential of Functional Cations as a Predictor of Hydroxide Diffusion Pathways in Nanoconfined Environments of Anion Exchange Membranes T Zelovich, DR Dekel, ME Tuckerman The Journal of Physical Chemistry Letters 15 (2), 408-415, 2024 | 1 | 2024 |
| (Invited) Non-Monotonic Temperature Dependence of Hydroxide Diffusion in Model Anion Exchange Membranes Based on Functionalized Nano-Confined … T Zelovich, ME Tuckerman Electrochemical Society Meeting Abstracts 240, 1203-1203, 2021 | 1 | 2021 |
