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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

1,310

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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

637

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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

1,196

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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

847

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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

1,140

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Catalysis

Working Paper

Self-hydrogen Supplied Catalytic Fractionation of Raw Biomass into Lignin-derived Phenolic Monomers and Cellulose-rich Pulps

Hao Zhou, Xiaohui Liu, Yong Guo, Yanqin Wang

Version 1 posted 28 March 2023

186

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Catalysis

Working Paper

Hydrogenolysis cleavage of Csp2-Csp3 bond over a metal-free NbOPO4 catalyst

Hao Zhou, Lu Chen, Yong Guo, Xiaohui Liu, Xin-Ping Wu, Xue-Qing Gong, Yanqin Wang

Version 1 posted 14 December 2021

248

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Biological and Medicinal Chemistry

Working Paper

Host Dynamics under General-Purpose Force Fields

Xiaohui Wang, Zhe Huai, Zhaoxi Sun

Version 2 posted 04 May 2023

152

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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

245

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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

260

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Refine Search

14 results in Xiaohui Wang in Authors: Xiaohui Wang

BAR-based Optimum Adaptive Steered MD for Configurational Sampling

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

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

Layered High-Entropy Oxide Structures for Reversible Energy Storage

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Self-hydrogen Supplied Catalytic Fractionation of Raw Biomass into Lignin-derived Phenolic Monomers and Cellulose-rich Pulps

Hydrogenolysis cleavage of Csp2-Csp3 bond over a metal-free NbOPO4 catalyst

Host Dynamics under General-Purpose Force Fields

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

14 results in Authors: Xiaohui Wang