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Tamar Zelovich
Tamar Zelovich
New York Univ NYU
Verified email at nyu.edu
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Year
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
16022020
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
842019
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
762014
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
542019
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
542017
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
442015
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
402016
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
362016
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
282022
Water layering affects hydroxide diffusion in functionalized nanoconfined environments
T Zelovich, ME Tuckerman
The Journal of Physical Chemistry Letters 11 (13), 5087-5091, 2020
262020
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
242021
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
142021
Precision of calculated static polarizabilities: Ga, In and Tl atoms
A Borschevsky, T Zelovich, E Eliav, U Kaldor
Chemical Physics 395, 104-107, 2012
92012
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
82022
Controlling hydronium diffusivity in model proton exchange membranes
T Zelovich, ME Tuckerman
The Journal of Physical Chemistry Letters 13 (9), 2245-2253, 2022
72022
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
62017
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
52022
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
32023
(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
12021
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
2024
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