Zhang Y - Search Results

1

Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline.

Zhang Y, Poe D, Heroux L, Squire H, Doherty BW, Long Z, Dadmun M, Gurkan B, Tuckerman ME, Maginn EJ. Zhang Y, et al. J Phys Chem B. 2020 Jun 25;124(25):5251-5264. doi: 10.1021/acs.jpcb.0c04058. Epub 2020 Jun 16. J Phys Chem B. 2020. PMID: 32464060

2

Temperature Dependence of Volumetric and Dynamic Properties of Imidazolium-Based Ionic Liquids.

Khabaz F, Zhang Y, Xue L, Quitevis EL, Maginn EJ, Khare R. Khabaz F, et al. Among authors: zhang y. J Phys Chem B. 2018 Mar 1;122(8):2414-2424. doi: 10.1021/acs.jpcb.7b12236. Epub 2018 Feb 20. J Phys Chem B. 2018. PMID: 29397725

3

Solvation Structure and Dynamics of Li⁺ in Ternary Ionic Liquid-Lithium Salt Electrolytes.

Huang Q, Lourenço TC, Costa LT, Zhang Y, Maginn EJ, Gurkan B. Huang Q, et al. Among authors: zhang y. J Phys Chem B. 2019 Jan 17;123(2):516-527. doi: 10.1021/acs.jpcb.8b08859. Epub 2019 Jan 3. J Phys Chem B. 2019. PMID: 30543427

4

PyLAT: Python LAMMPS Analysis Tools.

Humbert MT, Zhang Y, Maginn EJ. Humbert MT, et al. Among authors: zhang y. J Chem Inf Model. 2019 Apr 22;59(4):1301-1305. doi: 10.1021/acs.jcim.9b00066. Epub 2019 Mar 15. J Chem Inf Model. 2019. PMID: 30844269

5

Melting points of alkali chlorides evaluated for a polarizable and non-polarizable model.

DeFever RS, Wang H, Zhang Y, Maginn EJ. DeFever RS, et al. Among authors: zhang y. J Chem Phys. 2020 Jul 7;153(1):011101. doi: 10.1063/5.0012253. J Chem Phys. 2020. PMID: 32640828

6

Impact of anion shape on Li⁺ solvation and on transport properties for lithium-air batteries: a molecular dynamics study.

Fiates J, Zhang Y, Franco LFM, Maginn EJ, Doubek G. Fiates J, et al. Among authors: zhang y. Phys Chem Chem Phys. 2020 Jul 22;22(28):15842-15852. doi: 10.1039/d0cp00853b. Phys Chem Chem Phys. 2020. PMID: 32706357

7

Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids.

Bernardino K, Zhang Y, Ribeiro MCC, Maginn EJ. Bernardino K, et al. Among authors: zhang y. J Chem Phys. 2020 Jul 28;153(4):044504. doi: 10.1063/5.0015992. J Chem Phys. 2020. PMID: 32752715

8

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides.

Wang H, DeFever RS, Zhang Y, Wu F, Roy S, Bryantsev VS, Margulis CJ, Maginn EJ. Wang H, et al. Among authors: zhang y. J Chem Phys. 2020 Dec 7;153(21):214502. doi: 10.1063/5.0023225. J Chem Phys. 2020. PMID: 33291915

9

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: zhang y. Chem Rev. 2021 Feb 10;121(3):1232-1285. doi: 10.1021/acs.chemrev.0c00385. Epub 2020 Dec 14. Chem Rev. 2021. PMID: 33315380

10

Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies.

Zhang Y, Lewis NHC, Mars J, Wan G, Weadock NJ, Takacs CJ, Lukatskaya MR, Steinrück HG, Toney MF, Tokmakoff A, Maginn EJ. Zhang Y, et al. J Phys Chem B. 2021 May 6;125(17):4501-4513. doi: 10.1021/acs.jpcb.1c02189. Epub 2021 Apr 27. J Phys Chem B. 2021. PMID: 33904299

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