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Chemical Engineering and Industrial Chemistry

Working Paper

Fully resolved simulations of micro-unit composite fuel in solid propellants: Al@AP

Chang Xiaoya, Wen Mingjie, Chu Qingzhao, Luo Kai Hong, Chen Dongping

Version 1 posted 05 March 2024

208

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Physical Chemistry

Working Paper

Hydrogen Abstraction/Addition Reactions in Soot Surface Growth

Qingzhao Chu, Baolu Shi, Hongyu Wang, Dongping Chen, Lijuan Liao

Version 1 posted 15 October 2020

387

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Catalysis

Working Paper

H2O as the Sole Hydrogen Source for Ni-Catalyzed Reduction of Alkenes

Yichen Wu, Tao liu, Dongping Chen, Daoming Wang, Peng Wang

Version 1 posted 03 May 2019

1,344

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Towards fully ab initio modeling of soot formation in a nanoreactor

Qingzhao Chu, Chenguang Wang, Dongping Chen

Version 1 posted 03 February 2022

351

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Physical Chemistry

Working Paper

Revealing the thermal decomposition mechanism of RDX crystal by a neural network potential

Qingzhao Chu, Xiaoya Chang, Kang Ma, Xiaolong Fu, Dongping Chen

Version 1 posted 23 August 2022

366

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Physical Chemistry

Working Paper

Exploring complex reaction networks using neural network-based molecular dynamics simulation

Qingzhao Chu, Kai H. Luo, Dongping Chen

Version 1 posted 14 February 2022

494

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Chemical Engineering and Industrial Chemistry

Working Paper

A reaction network of AP decomposition: the missing piece from atomic simulations

Qingzhao Chu, Xiaolong Fu, Dongping Chen

Version 1 posted 17 January 2023

294

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Catalysis

Working Paper

An Evolved Artificial Radical Cyclase Enables the Construction of Bicyclic Terpenoid Scaffolds via an H-Atom Transfer Pathway

Dongping Chen, Xiang zhang, Anastassia Vorobieva, Ryo Tachibana, Alina Stein, Roman Jakob, Zhi Zou, Damian Graf, Ang Li, Timm Maier, Bruno Correia, Thomas Ward

Version 1 posted 19 July 2024

372

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Catalysis

Working Paper

Repurposing hemoproteins for metal-catalyzed H atom transfer in asymmetric radical biocatalysis

Xiang Zhang, Dongping Chen, Thomas Ward

Version 1 posted 08 November 2024

680

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Materials Chemistry

Working Paper

EM-HyChem: Bridging molecular simulations and chemical reaction neural network-enabled approach to modelling energetic material chemistry

Xinzhe Chen, Yabei Xu, Mingjie Wen, Kehui Pang, Shengkai Wang, Qingzhao Chu, Dongping Chen

Version 1 posted 24 September 2024

89

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Refine Search

10 results in Dongping Chen in Authors: Dongping Chen

Fully resolved simulations of micro-unit composite fuel in solid propellants: Al@AP

Hydrogen Abstraction/Addition Reactions in Soot Surface Growth

H2O as the Sole Hydrogen Source for Ni-Catalyzed Reduction of Alkenes

Towards fully ab initio modeling of soot formation in a nanoreactor

Revealing the thermal decomposition mechanism of RDX crystal by a neural network potential

Exploring complex reaction networks using neural network-based molecular dynamics simulation

A reaction network of AP decomposition: the missing piece from atomic simulations

An Evolved Artificial Radical Cyclase Enables the Construction of Bicyclic Terpenoid Scaffolds via an H-Atom Transfer Pathway

Repurposing hemoproteins for metal-catalyzed H atom transfer in asymmetric radical biocatalysis

EM-HyChem: Bridging molecular simulations and chemical reaction neural network-enabled approach to modelling energetic material chemistry

10 results in Authors: Dongping Chen