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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

499

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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

517

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Biological and Medicinal Chemistry

Working Paper

Profiling of D-alanine production by the microbial isolates of rat gut microbiota

Cindy J. Lee, Tian A. Qiu, Zhilai Hong, Zhenkun Zhang, Yuhao Min, Linzixuan Zhang, Lei Dai, Huimin Zhao, Tong Si, Jonathan V. Sweedler

Version 1 posted 30 September 2021

510

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Materials Science

Working Paper

Light- and Temperature-Assisted Spin State Annealing: Accessing the Hidden Multistability

Yan-Cong Chen, Yan Meng, Jiří Tuček, Yan-Jie Dong, Xiao-Wei Song, Guo-Zhang Huang, Chuan-Lei Zhang, Zhao-Ping Ni, Radek Zbořil, Ming-Liang Tong

Version 1 posted 29 November 2019

2,011

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Organic Chemistry

Working Paper

Enantioselective Construction of Trialkyl Tertiary Centers via Ni-Catalyzed Markovnikov Hydrocarbofunctionalizations of Unactivated Olefins and Electrophiles

Wei Shu, Peng-Fei Yang, Jian-Xin Liang, Han-Tong Zhao, Jian-Xin Zhang, Xian-Wang Zeng

Version 1 posted 16 March 2021

1,421

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Theoretical Investigations of Photoionization Efficiency of Naphthalene

Chih-Hao Chin, Tong Zhu, John ZH Zhang

Version 1 posted 04 February 2019

743

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1

Citations

Inorganic Chemistry

Working Paper

Seeking Magneto-Structural Correlations in Easily Tailored Pentagonal Bipyramid Dy(III) Single-Ion Magnets

Guo-Zhang Huang, Ze-Yu Ruan, Jie-Yu Zheng, Yan-Cong Chen, Si-Guo Wu, Jun-Liang Liu, Ming-Liang Tong

Version 1 posted 31 December 2019

492

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Theoretical and Computational Chemistry

Working Paper

Growth of Polycyclic Aromatic Hydrocarbon and Soot Inception by in silico Simulation

Bo Wang, Jinzhe Zeng, Liqun Cao, Chih-Hao Chin, Darrin York, Tong Zhu, John Zhang

Version 1 posted 04 April 2022

499

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2

Citations

Organic Chemistry

Working Paper

Inherently Chiral Calixarenes from Catalytic Enantioselective Transannular Arene-Arene Cross-Coupling Reaction

Xin Zhang, Shuo Tong, Jieping Zhu, Mei-Xiang Wang

Version 1 posted 01 November 2022

359

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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

661

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Refine Search

26 results in Tong Zhang in Authors: Tong Zhang

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

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

Profiling of D-alanine production by the microbial isolates of rat gut microbiota

Light- and Temperature-Assisted Spin State Annealing: Accessing the Hidden Multistability

Enantioselective Construction of Trialkyl Tertiary Centers via Ni-Catalyzed Markovnikov Hydrocarbofunctionalizations of Unactivated Olefins and Electrophiles

Theoretical Investigations of Photoionization Efficiency of Naphthalene

Seeking Magneto-Structural Correlations in Easily Tailored Pentagonal Bipyramid Dy(III) Single-Ion Magnets

Growth of Polycyclic Aromatic Hydrocarbon and Soot Inception by in silico Simulation

Inherently Chiral Calixarenes from Catalytic Enantioselective Transannular Arene-Arene Cross-Coupling Reaction

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

26 results in Authors: Tong Zhang