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Theoretical and Computational Chemistry

Review

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

Haiyi Huang, Chao Xu, Kunni Lin, Jiawei Peng, Feng Long Gu, Zhenggang Lan

Version 1 posted 23 May 2022

187

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2

Citations

Chemical Education

Working Paper

Virtual Reality Educational Tool for Connecting Chemistry Lecture with Remote Laboratory Demonstrations

Yuming Tian, Haoluo Fu, Jiawei Liu, Le Wang, Xiaoji Xu

Version 1 posted 30 March 2020

680

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Chemistry of Cyclo-[2n]-Carbon: A Many-Particle Quantum Mechanics Investigation

Xi Chen, Xueyuan Yan, Zihan Liu, Tao Yuan, Caijie Bu, Yunlong Shang, Han Xiao, Yong Wu, Haiyan Wei, Jiawei Xu

Version 2 posted 08 November 2023

218

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Catalysis

Working Paper

Ferromagnetic–Antiferromagnetic Coupling Core–Shell Nanoparticles with Spin Conservation for Water Oxidation

Jingjie Ge, Riccardo Ruixi Chen, Xiao Ren, Xia Li, Jiawei Liu, Samuel Jun Hoong Ong, Junling Wang, Zhichuan J. Xu

Version 1 posted 23 March 2021

467

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Theoretical and Computational Chemistry

Working Paper

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

Haiyi Huang, Jiawei Peng, Feng Long Gu, Zhenggang Lan, Chao Xu

Version 1 posted 18 March 2024

122

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Catalysis

Working Paper

Identifying the Active Site on ZnxCryOz for HC-O Bond Cleavage in Syn-gas Conversion

Jiawei Wu, Yulan Han, Menglei Jia, Jiayan Xu, Peijun Hu

Version 1 posted 05 April 2024

100

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Theoretical and Computational Chemistry

Working Paper

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

Yifei Zhu, Jiawei Peng, Xu Kang, Chao Xu, Zhenggang Lan

Version 1 posted 29 June 2022

131

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Refine Search

7 results in Jiawei Xu in Authors: Jiawei Xu

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

Virtual Reality Educational Tool for Connecting Chemistry Lecture with Remote Laboratory Demonstrations

Chemistry of Cyclo-[2n]-Carbon: A Many-Particle Quantum Mechanics Investigation

Ferromagnetic–Antiferromagnetic Coupling Core–Shell Nanoparticles with Spin Conservation for Water Oxidation

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

Identifying the Active Site on ZnxCryOz for HC-O Bond Cleavage in Syn-gas Conversion

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

7 results in Authors: Jiawei Xu