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Physical Chemistry

Working Paper

Molecular picture of electric double layers with weakly adsorbed water

Mei Jia, Junyi Wang, Qixiang Liu, Xiaohui Yang, Chao Zhang

Version 1 posted 18 June 2024

171

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Physical Chemistry

Working Paper

Theoretical Understanding of the Thermodynamics and Interactions in Transcriptional Regulator TtgR-Ligand Binding

Zhaoxi Sun, Xiaohui Wang, John Z. H. Zhang

Version 1 posted 15 July 2019

676

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Materials Chemistry

Working Paper

Piezoelectricity of a Ferrocene-based Organic Small Molecule

Xing Feng, Ling Li, Jianyu Zhang, Xiaohui Wang, Qingsong Wang, Wei Gao, Carl Redshaw, Nengjie Huo, Jingbo Li, Jacky W. Y. Lam, Ben Zhong Tang

Version 1 posted 24 November 2020

549

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Physical Chemistry

Working Paper

BAR-Based Multi-Dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape

Xiaohui Wang, Qiaole He, Zhaoxi Sun

Version 2 posted 08 March 2019

1,206

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Theoretical and Computational Chemistry

Working Paper

BAR-based Optimum Adaptive Steered MD for Configurational Sampling

Xiaohui Wang, Xingzhao Tu, Boming Deng, John Z. H. Zhang, Zhaoxi Sun

Version 2 posted 10 January 2019

1,325

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Physical Chemistry

Working Paper

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Xiaohui Wang, Zhaoxi Sun

Version 2 posted 21 March 2019

1,180

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Chemical Engineering and Industrial Chemistry

Working Paper

Molecular Modelling of Ionic Liquids: Perfluorinated Anionic Species with Enlarged Halogen Substitutions

Zhaoxi Sun, Lei Zheng, Zuo-yuan Zhang, Yalong Cong, Jingjing Yang, Xiaohui Wang

Version 1 posted 13 December 2022

222

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1

Citations

Catalysis

Working Paper

Co@CoO: a Unique Catalyst for Hydrogenolysis of Biomass-derived 5-Hydroxymethylfurfural to 2,5-Dimethylfuran

Shuang Xiang, Lin Dong, Zhiqiang Wang, Xue Han, Luke Daemen, Yongqiang Cheng, Yong Guo, Xiaohui Liu, Anibal J Ramirez-Cuesta, Sihai Yang, Xue-Qing Gong, Yanqin Wang

Version 1 posted 17 November 2021

278

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Catalysis

Working Paper

Hydride-like NH2δ- species-driven reductive amination over Co@CoO catalyst

Wanjun Guo, Zhiqiang Wang, Shuang Xiang, Yaxuan Jing, Yong Guo, Xiaohui Liu, Xue-qing Gong, Yanqin Wang

Version 1 posted 04 March 2022

309

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Energy

Working Paper

Layered High-Entropy Oxide Structures for Reversible Energy Storage

Junbo Wang, Yanyan Cui, Qingsong Wang, Kai Wang, Xiaohui Wang, David Stenzel, Abhishek Sarkar, Subramshu S. Bhattacharya, Robert Kruk, Horst Hahn, Torsten Brezesinski, Ben Breitung

Version 1 posted 03 February 2020

883

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Refine Search

16 results in Xiaohui Wang in Authors: Xiaohui Wang

Molecular picture of electric double layers with weakly adsorbed water

Theoretical Understanding of the Thermodynamics and Interactions in Transcriptional Regulator TtgR-Ligand Binding

Piezoelectricity of a Ferrocene-based Organic Small Molecule

BAR-Based Multi-Dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape

BAR-based Optimum Adaptive Steered MD for Configurational Sampling

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Molecular Modelling of Ionic Liquids: Perfluorinated Anionic Species with Enlarged Halogen Substitutions

Co@CoO: a Unique Catalyst for Hydrogenolysis of Biomass-derived 5-Hydroxymethylfurfural to 2,5-Dimethylfuran

Hydride-like NH2δ- species-driven reductive amination over Co@CoO catalyst

Layered High-Entropy Oxide Structures for Reversible Energy Storage

16 results in Authors: Xiaohui Wang