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Theoretical and Computational Chemistry

Working Paper

Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method

Mingyuan Xu, Tong Zhu, John ZH Zhang

Version 1 posted 06 April 2021

424

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Materials Science

Working Paper

Purely Organic Phosphor Sensitization Based Highly Efficient Electrofluorescence Material

Jiaxuan Wang, Baoyan Liang, Jinbei Wei, Yincai Xu, Zhiqiang Li, Tong Yang, Chenglong Li, Yue Wang

Version 1 posted 09 March 2021

498

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Catalysis

Working Paper

Directed Evolution and Predictive Modelling of Galactose Oxidase towards Bulky Benzylic and Unactivated Secondary Alcohols

Wan Lin Yeo, Dillon W. P. Tay, Jhoann M.T. Miyajima, Shreyas Supekar, Tong Mei Teh, Jin Xu, Yee Ling Tan, Jie Yang See, Hao Fan, Sebastian Maurer-Stroh, Yee Hwee Lim, Ee Lui Ang

Version 1 posted 17 February 2023

450

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Materials Chemistry

Working Paper

Adaptive and Space-Filling Peptide Self-Assembly Upon Drying

Dhwanit R. Dave, Salma Kassem, Mona Tayarani-Najjaran, Maeva Coste, Lele Xu, Sheng Zhang, Darjan Podbevsek, Luis Ortuno Macias, Deborah Sementa, Muniyat A. Choudhury, Kelly Veerasammy, Selma Doganata, Cory Weng, Jorge Morales, Tong Wang, Mateusz Marianski, Tai-De Li, Xi Chen, Raymond Tu, Ye He, Rein Ulijn

Version 1 posted 08 March 2024

238

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Theoretical and Computational Chemistry

Working Paper

Targeted Oxidation Strategy (TOS) for Potential Inhibition of Coronaviruses by Disulfiram — a 70-Year Old Anti-Alcoholism Drug

Luyan Xu, Jiahui Tong, Yiran Wu, Suwen Zhao, Bo-Lin Lin

Version 1 posted 05 March 2020

2,336

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2

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Organic Chemistry

Working Paper

C(sp2)−H Cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes

Lei Tang, Qi-Nan Huang, Feng Wu, Yuanjiu Xiao, Jin-Lan Zhou, Tong-Tong Xu, Wen-Biao Wu, Shuanglin Qu, Jian-Jun Feng

Version 1 posted 26 June 2023

576

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Theoretical and Computational Chemistry

Working Paper

Ab Initio Molecular Dynamics Simulation of Zinc metalloproteins with Enhanced Self-Organizing Incremental High Dimensional Neural Network

Mingyuan Xu, Tong Zhu, John ZH Zhang

Version 1 posted 16 November 2020

556

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Organic Chemistry

Working Paper

Silver-Catalyzed Dearomative [2π+2σ] Cycloadditions of Indoles with Bicyclobutanes: Expedient Access to Indoline Fused Bicy-clo[2.1.1]hexanes

Lei Tang, Yuanjiu Xiao, Feng Wu, Jin-Lan Zhou, Tong-Tong Xu, Jian-Jun Feng

Version 1 posted 11 July 2023

633

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Inorganic Chemistry

Working Paper

Atomic-scale insights into topotactic transformations in extra-large pore silicate zeolites using time-resolved 3D electron diffraction

Yi Luo, Hao Xu, Yue Han, Wen Tong, Meichen Jiao, Naihong Wang, Jingang Jiang, Xiaodong Zou, Peng Wu

Version 2 posted 22 January 2024

566

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Theoretical and Computational Chemistry

Working Paper

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

Liqun Cao, Jinzhe Zeng, Mingyuan Xu, Chih-Hao Chin, Tong Zhu, John ZH Zhang

Version 1 posted 31 December 2019

477

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Refine Search

10 results in Tong-Tong Xu in Authors: Tong-Tong Xu

Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method

Purely Organic Phosphor Sensitization Based Highly Efficient Electrofluorescence Material

Directed Evolution and Predictive Modelling of Galactose Oxidase towards Bulky Benzylic and Unactivated Secondary Alcohols

Adaptive and Space-Filling Peptide Self-Assembly Upon Drying

Targeted Oxidation Strategy (TOS) for Potential Inhibition of Coronaviruses by Disulfiram — a 70-Year Old Anti-Alcoholism Drug

C(sp2)−H Cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes

Ab Initio Molecular Dynamics Simulation of Zinc metalloproteins with Enhanced Self-Organizing Incremental High Dimensional Neural Network

Silver-Catalyzed Dearomative [2π+2σ] Cycloadditions of Indoles with Bicyclobutanes: Expedient Access to Indoline Fused Bicy-clo[2.1.1]hexanes

Atomic-scale insights into topotactic transformations in extra-large pore silicate zeolites using time-resolved 3D electron diffraction

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

10 results in Authors: Tong-Tong Xu