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Physical Chemistry

Working Paper

The simulation of the femtosecond transient absorption pump-probe spectroscopy under the framework of on-the-fly symmetrical quasi-classical/Meyer-Miller dynamics

Zhaofa Li, Jiawei Peng, Yifei Zhu, Chao Xu, Maxim F. Gelin, Feng Long Gu, Zhenggang Lan

Version 1 posted 12 December 2024

95

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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

795

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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

278

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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

262

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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

2,017

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1

Citations

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

210

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2

Citations

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

181

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Energy

Working Paper

Mechanical origins of lithium-metal intrusions into garnet solid electrolytes revealed by failure statistics

Geoff McConohy, Xin Xu, Teng Cui, Edward Barks, Sunny Wang, Emma Kaeli, Celeste Melamed, X. Wendy Gu, William C. Chueh

Version 1 posted 20 June 2022

1,230

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1

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

128

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Physical Chemistry

Working Paper

Relaxed structure of typical nitro explosives in the excited state: observation, implication and application

Genbai Chu, Zuhua Yang, Tao Xi, Jianting Xin, Yongqiang Zhao, Weihua He, Min Shui, Yuqiu Gu, Ying Xiong, Tao Xu

Version 2 posted 13 November 2017

921

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Refine Search

15 results in Xu Gu in Authors: Xu Gu

The simulation of the femtosecond transient absorption pump-probe spectroscopy under the framework of on-the-fly symmetrical quasi-classical/Meyer-Miller dynamics

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

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

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

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

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

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

Mechanical origins of lithium-metal intrusions into garnet solid electrolytes revealed by failure statistics

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

Relaxed structure of typical nitro explosives in the excited state: observation, implication and application

15 results in Authors: Xu Gu