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Langmuir : the ACS Journal of Surfaces and Colloids|October 21, 2016
Mesoscopic Simulations of Adsorption and Association of PEO-PPO-PEO Triblock Copolymers on a Hydrophobic Surface: From Mushroom Hemisphere to Rectangle BrushXianyu Song, Shuangliang Zhao, Shenwen Fang, et al.
The Journal of Physical Chemistry. B|March 15, 2021
Engulfing Behavior of Nanoparticles into Thermoresponsive Microgels: A Mesoscopic Simulation StudyXianyu Song, Jianzhuang Zhou, Chongzhi Qiao, et al.
ACS Applied Materials & Interfaces|October 26, 2018
Organic Sensitizers with Extended Conjugation Frameworks as Cosensitizers of Porphyrins for Developing Efficient Dye-Sensitized Solar CellsYingchun Cheng, Guosheng Yang, Haoran Jiang, et al.
ACS Applied Materials & Interfaces|December 14, 2020
Mechanochemical Cellular Membrane Internalization of Nanohydrogels: A Large-Scale Mesoscopic SimulationXianyu Song, Jule Ma, Ting Long, et al.
Carbohydrate Polymers|October 2, 2022
Effect of molecular structure and ionization state on aggregation of carboxymethyl chitosan: A molecular dynamics studyMing Lei, Weian Huang, Zhehui Jin, et al.
Journal of Computational Chemistry|November 3, 2022
Reactivities of silane coupling agents in the silica/rubber composites: Theoretical insights into the relationships between energy barriers and electronic characteristicsDelong Ma, Song Ma, Yunfeng Li, et al.
The Journal of Physical Chemistry. A|July 12, 2026
Steering Diels-Alder Reaction with Mechanical Force: Structure Deformation versus Electron RearrangementWeijie Huang, Junchao Liao, Xuan Wang, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 23, 2017
Efficient Molecular Approach to Quantifying Solvent-Mediated InteractionsHongguan Wu, Yu Li, Damir Kadirov, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|March 7, 2019
Dynamic Adsorption of Ions into Like-Charged Nanospace: A Dynamic Density Functional Theory StudyLeying Qing, Yu Li, Weiqiang Tang, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|October 24, 2018
Confinement Effect on Molecular Conformation of Alkanes in Water-Filled Cavitands: A Combined Quantum/Classical Density Functional Theory StudyXiaochen Yu, Weiqiang Tang, Teng Zhao, et al.
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