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The Journal of Physical Chemistry. B|February 8, 2020
Hydrogen Bond Dynamics in the Solvation Shell on Proton Transfer in Aqueous SolutionYonghui Zeng, Ailin Li, Tianying YanThe Journal of Physical Chemistry. B|April 21, 2020
Proton Propensity and Orientation of Imidazolium Cation at Liquid Imidazole-Vacuum Interface: A Molecular Dynamics SimulationAilin Li, Tianying YanPhysical Chemistry Chemical Physics : PCCP|May 5, 2021
Binary structure and dynamics of the hydrogen bonds in the hydration shells of ionsYonghui Zeng, Yunzhe Jia, Tianying Yan, et al.The Journal of Physical Chemistry. B|October 3, 2012
Structure and dynamics of proton transfer in liquid imidazole. A molecular dynamics simulationAilin Li, Zhen Cao, Yao Li, et al.The Journal of Physical Chemistry. B|December 6, 2014
Anion-Functionalized Task-Specific Ionic Liquids: Molecular Origin of Change in Viscosity upon CO2 CaptureAilin Li, Ziqi Tian, Tianying Yan, et al.Journal of the American Chemical Society|July 31, 2010
Mechanism of fast proton transport along one-dimensional water chains confined in carbon nanotubesZhen Cao, Yuxing Peng, Tianying Yan, et al.ACS Applied Materials & Interfaces|August 5, 2025
Dihedral Restrained Molecular Dynamics Aligns Simulated and Experimental Crystallinity in Organic Solar CellsWenkai Zhao, Ailin Li, Yecheng Zhou, et al.The Journal of Physical Chemistry. B|November 27, 2023
Molecular Dynamics Simulation on the Charge Transport Properties in a Salt-in-Ionic Liquid ElectrolyteXiaozhe Ren, Tianying YanThe Journal of Physical Chemistry. A|December 11, 2012
Thole model for ionic liquid polarizabilityYixuan Gu, Tianying YanPageof 21