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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

Theoretical and Computational Chemistry

Working Paper

The Impact of the Different Geometrical Restrictions on the Nonadiabatic Photoisomerization of Biliverdin Chromophore

Yuan Fang, Haiyi Huang, Kunni Lin, Chao Xu, FengLong Gu, Zhenggang Lan

Version 1 posted 30 June 2022

102

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Organic Chemistry

Working Paper

Toward a General Glycosylation Strategy: Exploring the Dual Functions of Acyl Group Direction in Various Nucleophilic Environments

Yongtao Gao, Wenjie Chen, Juan Zhao, Min Yang, Yongliang Zhang, Changsheng Chen, Linbin Yao, Jiayuan Xu, Fei Wang, Bangzhi Zhang, Guofeng Gu, Bencan Tang, Feng Cai

Version 1 posted 19 October 2023

177

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Electrochemical mechanistic analysis from cyclic voltammograms based on deep learning

Benjamin Hoar, Weitong Zhang, Shuangning Xu, Rana Deeba, Cyrille Costentin, Quanquan Gu, Chong Liu

Version 1 posted 09 June 2022

396

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Inorganic Chemistry

Working Paper

A “Simple” Donor-Acceptor AIEgen with Multi-Stimuli Responsive Behavior

Jing Zhang, Aisen Li, hang zou, Peng Junhui, Jiali Guo, Wenjie Wu, Haoke Zhang, Jun Zhang, Xinggui Gu, Weiqing Xu, Xu Shuping, Sheng Hua Liu, Anjun Qin, Jacky W. Y. Lam, Ben Zhong Tang

Version 1 posted 18 July 2019

713

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Biological and Medicinal Chemistry

Working Paper

[18F]SuFEx Click Chemistry Enabled Ultrafast Late-stage Radiosynthesis

Qinheng Zheng, Hongtao Xu, Hua Wang, Wen-Ge Han Du, Nan Wang, Huan Xiong, Yuang Gu, Louis Noodleman, Guang Yang, K. Barry Sharpless, Peng Wu

Version 2 posted 11 August 2020

1,910

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Theoretical and Computational Chemistry

Working Paper

Molecular Partition Coefficient from Machine Learning with Polarization and Entropy Embedded Atom- Centered Symmetry Functions

Qiang Zhu, Qingqing Jia, Ziteng Liu, Yang Ge, Xu Gu, Ziyi Cui, Mengting Fan, Jing Ma

Version 1 posted 07 June 2022

144

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Catalysis

Working Paper

Engineering Pt-Pt coordination environment to enhance the four-electron oxygen reduction reaction

Sushila Marlow, Matthew T. Darby, Ruoyu Xu, Liqun Kang, Hao Gu, Bolun Wang, Christopher S. Allen, Hiroyuki Asakura, Michail Stamatakis, Feng Ryan Wang

Version 1 posted 11 September 2023

179

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Organic Chemistry

Working Paper

A Prebiotic Selection of β-Furanoside-5'-Phosphate as the Sole Configuration toward the Synthesis of Extant RNA

Ze-Run Zhao, Hao-Xing Xu, Cheng-Cheng Gu, Qian-Qian Chen, Xiao Wang

Version 1 posted 20 December 2023

206

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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

118

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Refine Search

13 results in Xu Gu in Authors: Xu Gu

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

The Impact of the Different Geometrical Restrictions on the Nonadiabatic Photoisomerization of Biliverdin Chromophore

Toward a General Glycosylation Strategy: Exploring the Dual Functions of Acyl Group Direction in Various Nucleophilic Environments

Electrochemical mechanistic analysis from cyclic voltammograms based on deep learning

A “Simple” Donor-Acceptor AIEgen with Multi-Stimuli Responsive Behavior

[18F]SuFEx Click Chemistry Enabled Ultrafast Late-stage Radiosynthesis

Molecular Partition Coefficient from Machine Learning with Polarization and Entropy Embedded Atom- Centered Symmetry Functions

Engineering Pt-Pt coordination environment to enhance the four-electron oxygen reduction reaction

A Prebiotic Selection of β-Furanoside-5'-Phosphate as the Sole Configuration toward the Synthesis of Extant RNA

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

13 results in Authors: Xu Gu