Следене
Yong Zhang
Yong Zhang
Потвърден имейл адрес: nd.edu
Заглавие
Позовавания
Позовавания
Година
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
18072020
Reliable viscosity calculation from equilibrium molecular dynamics simulations: A time decomposition method
Y Zhang, A Otani, EJ Maginn
Journal of chemical theory and computation 11 (8), 3537-3546, 2015
3262015
Direct correlation between ionic liquid transport properties and ion pair lifetimes: A molecular dynamics study
Y Zhang, EJ Maginn
The journal of physical chemistry letters 6 (4), 700-705, 2015
2552015
A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids
Y Zhang, EJ Maginn
The Journal of Physical Chemistry B, 2012
2282012
The Electrolyte Genome project: A big data approach in battery materials discovery
X Qu, A Jain, NN Rajput, L Cheng, Y Zhang, SP Ong, M Brafman, ...
Computational Materials Science 103, 56-67, 2015
2002015
A comparison of methods for melting point calculation using molecular dynamics simulations
Y Zhang, EJ Maginn
Journal of Chemical Physics 136 (14), 144116, 2012
1972012
System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly (ethylene glycol) dimethyl ethers
OA Moultos, Y Zhang, IN Tsimpanogiannis, IG Economou, EJ Maginn
The Journal of Chemical Physics 145 (7), 2016
1272016
The Effect of C2 Substitution on Melting Point and Liquid Phase Dynamics of Imidazolium Based-Ionic Liquids: Insights from Molecular Dynamics Simulations
Y Zhang, EJ Maginn
Physical Chemistry Chemical Physics, 2012
1092012
Liquid structure and transport properties of the deep eutectic solvent ethaline
Y Zhang, D Poe, L Heroux, H Squire, BW Doherty, Z Long, M Dadmun, ...
The Journal of Physical Chemistry B 124 (25), 5251-5264, 2020
1072020
Infrared Spectrum of the Hydrated Proton in Water
J Xu, Y Zhang, GA Voth
The Journal of Physical Chemistry Letters 2, 81-86, 2011
852011
Functionalized phosphonium cations enable zinc metal reversibility in aqueous electrolytes
L Ma, TP Pollard, Y Zhang, MA Schroeder, MS Ding, AV Cresce, R Sun, ...
Angewandte Chemie 133 (22), 12546-12553, 2021
812021
Solvation Structure and Dynamics of Li+ in Ternary Ionic Liquid–Lithium Salt Electrolytes
Q Huang, TC Lourenco, LT Costa, Y Zhang, EJ Maginn, B Gurkan
The Journal of Physical Chemistry B 123 (2), 516-527, 2018
782018
A Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles
Y Zhang, GA Voth
Journal of Chemical Theory and Computation, 2011
782011
Molecular dynamics study of the effect of alkyl chain length on melting points of [C n MIM][PF 6] ionic liquids
Y Zhang, EJ Maginn
Physical Chemistry Chemical Physics 16 (26), 13489-13499, 2014
772014
Water-in-salt LiTFSi aqueous electrolytes. 1. Liquid structure from combined molecular dynamics simulation and experimental studies
Y Zhang, NHC Lewis, J Mars, G Wan, NJ Weadock, CJ Takacs, ...
The Journal of Physical Chemistry B 125 (17), 4501-4513, 2021
742021
PyLAT: Python LAMMPS analysis tools
MT Humbert, Y Zhang, EJ Maginn
Journal of chemical information and modeling 59 (4), 1301-1305, 2019
712019
Molecular topology and local dynamics govern the viscosity of imidazolium-based ionic liquids
Y Zhang, L Xue, F Khabaz, R Doerfler, EL Quitevis, R Khare, EJ Maginn
The Journal of Physical Chemistry B 119 (47), 14934-14944, 2015
682015
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
S Spittle, D Poe, B Doherty, C Kolodziej, L Heroux, MA Haque, H Squire, ...
Nature communications 13 (1), 219, 2022
672022
Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins
H Fujisaki, Y Zhang, JE Straub
The Journal of chemical physics 124 (14), 2006
662006
Refined method for predicting electrochemical windows of ionic liquids and experimental validation studies
Y Zhang, C Shi, JF Brennecke, EJ Maginn
The Journal of Physical Chemistry B 118 (23), 6250-6255, 2014
612014
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