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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

1,316

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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

532

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Materials Chemistry

Working Paper

Encapsulating Metal Nanoparticles into a Layered Zeolite Precursor with Surface Silanol Nests Enhances Sintering Resistance

Ang Li, Yuyan Zhang, Christopher Heard, Kinga Gołabek, Xiaohui Ju, Jiří Čejka, Michal Mazur

Version 1 posted 20 September 2022

276

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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

186

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1

Citations

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

653

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Chemical Engineering and Industrial Chemistry

Working Paper

Chemical Accuracy Prediction of Molecular Solvation and Partition in Ionic Liquids with Educated Estimators

Zuo-yuan Zhang, Xiaohui Wang, Qiaole He, Zhaoxi Sun

Version 1 posted 24 August 2023

69

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Polymer Science

Working Paper

Functional Polyester Synthesis from CO2, Butadiene and Epoxides

Yajun Zhao, Xiaohui Zhang, Zhuang Li, Shan Tang

Version 1 posted 31 August 2023

264

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1

Citations

Polymer Science

Working Paper

Polyethylene Materials Bearing In-chain Mechanophores

Xiaohui Zhang, Yajun Zhao, Meng Chen, Shan Tang

Version 1 posted 20 December 2023

443

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Polymer Science

Working Paper

Bifunctional and Recyclable Polyesters by Chemoselective Ring-Opening Polymerization of a δ-Lactone Derived from CO2 and Butadiene

Jinbo Zhang, Lihang Jiang, Shaofeng Liu, Junhao Shen, Pierre Braunstein, Yong Shen, Xiaohui Kang, Zhibo Li

Version 1 posted 26 February 2024

358

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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

113

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Refine Search

10 results in Xiaohui Zhang in Authors: Xiaohui Zhang

BAR-based Optimum Adaptive Steered MD for Configurational Sampling

Piezoelectricity of a Ferrocene-based Organic Small Molecule

Encapsulating Metal Nanoparticles into a Layered Zeolite Precursor with Surface Silanol Nests Enhances Sintering Resistance

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

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

Chemical Accuracy Prediction of Molecular Solvation and Partition in Ionic Liquids with Educated Estimators

Functional Polyester Synthesis from CO2, Butadiene and Epoxides

Polyethylene Materials Bearing In-chain Mechanophores

Bifunctional and Recyclable Polyesters by Chemoselective Ring-Opening Polymerization of a δ-Lactone Derived from CO2 and Butadiene

Molecular picture of electric double layers with weakly adsorbed water

10 results in Authors: Xiaohui Zhang