Zelovich T - Search Results

1

Deep Eutectic Solvents: A Review of Fundamentals and Applications.

Hansen BB, Spittle S, Chen B, Poe D, Zhang Y, Klein JM, Horton A, Adhikari L, Zelovich T, Doherty BW, Gurkan B, Maginn EJ, Ragauskas A, Dadmun M, Zawodzinski TA, Baker GA, Tuckerman ME, Savinell RF, Sangoro JR. Hansen BB, et al. Among authors: zelovich t. Chem Rev. 2021 Feb 10;121(3):1232-1285. doi: 10.1021/acs.chemrev.0c00385. Epub 2020 Dec 14. Chem Rev. 2021. PMID: 33315380

2

Controlling Hydronium Diffusivity in Model Proton Exchange Membranes.

Zelovich T, Tuckerman ME. Zelovich T, et al. J Phys Chem Lett. 2022 Mar 10;13(9):2245-2253. doi: 10.1021/acs.jpclett.1c04071. Epub 2022 Mar 3. J Phys Chem Lett. 2022. PMID: 35238561

3

Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined Environments.

Zelovich T, Tuckerman ME. Zelovich T, et al. J Phys Chem Lett. 2020 Jul 2;11(13):5087-5091. doi: 10.1021/acs.jpclett.0c01141. Epub 2020 Jun 17. J Phys Chem Lett. 2020. PMID: 32515960

4

OH^- and H₃O⁺ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular Dynamics.

Zelovich T, Tuckerman ME. Zelovich T, et al. Membranes (Basel). 2021 May 12;11(5):355. doi: 10.3390/membranes11050355. Membranes (Basel). 2021. PMID: 34066142 Free PMC article.

5

Driven Liouville von Neumann Equation in Lindblad Form.

Hod O, Rodríguez-Rosario CA, Zelovich T, Frauenheim T. Hod O, et al. Among authors: zelovich t. J Phys Chem A. 2016 May 19;120(19):3278-85. doi: 10.1021/acs.jpca.5b12212. Epub 2016 Feb 16. J Phys Chem A. 2016. PMID: 26807992

6

Molecule-lead coupling at molecular junctions: relation between the real- and state-space perspectives.

Zelovich T, Kronik L, Hod O. Zelovich T, et al. J Chem Theory Comput. 2015 Oct 13;11(10):4861-9. doi: 10.1021/acs.jctc.5b00612. Epub 2015 Sep 25. J Chem Theory Comput. 2015. PMID: 26574274 Free article.

7

State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions.

Zelovich T, Kronik L, Hod O. Zelovich T, et al. J Chem Theory Comput. 2014 Aug 12;10(8):2927-41. doi: 10.1021/ct500135e. Epub 2014 Jun 17. J Chem Theory Comput. 2014. PMID: 26588268

8

Electrostatic Potential of Functional Cations as a Predictor of Hydroxide Diffusion Pathways in Nanoconfined Environments of Anion Exchange Membranes.

Zelovich T, Dekel DR, Tuckerman ME. Zelovich T, et al. J Phys Chem Lett. 2024 Jan 18;15(2):408-415. doi: 10.1021/acs.jpclett.3c02800. Epub 2024 Jan 5. J Phys Chem Lett. 2024. PMID: 38179916 Free PMC article.

9

A Green's Function Approach for Determining Surface Induced Broadening and Shifting of Molecular Energy Levels.

Zelovich T, Hansen T, Tuckerman ME. Zelovich T, et al. Nano Lett. 2022 Dec 28;22(24):9854-9860. doi: 10.1021/acs.nanolett.2c02910. Epub 2022 Dec 16. Nano Lett. 2022. PMID: 36525585

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