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Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 1 posted 29 July 2020

336

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Organic Chemistry

Working Paper

Copper-Catalyzed Three-Component Photo-ATRA-Type Reaction for Asymmetric Intermolecular C-O Coupling

Peng-Zi Wang, Yu-Jie Liang, Xue Wu, Wei Guan, Wen-Jing Xiao, Jia-Rong Chen

Version 1 posted 06 June 2022

866

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1

Citations

Materials Chemistry

Working Paper

More Than Carbazole Derivative Activates Room Temperature Ultralong Organic Phosphorescence of Benzoindole Derivative

Zhiyong Ma, Chen Qian, Zhimin Ma, Xiaohua Fu, Xue Zhang, Zewei Li, Huiwen Jin, Mingxing Chen, Hong Jiang, Xinru Jia

Version 1 posted 07 December 2021

718

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Organic Chemistry

Working Paper

Saturated F2-rings from Alkenes

Honggen Wang, Yin Li, Xiao-Bin Liu, Vadym Sham, Ivan Logvinenko, Jiang-Hao Xue, Jun-Yunzi Wu, Jia-Luo Fu, Shuang Lin, Yuan Liu, Qingjiang Li, Pavel Mykhailiuk

Version 2 posted 17 September 2024

2,261

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Organic Chemistry

Working Paper

Photoredox-Catalyzed Allylic C-H Fluorosulfonylation of Alkenes: Accessing Allyl Sulfonyl Fluorides

Zhi-Min Yan, Chun-Fang Zhang, Hua Li, Jia-Hua Yang, Lin Qi, Yu-Xue Ma, Yi-Chen Dong, Wei Li, Li-Jing Wang

Version 1 posted 02 August 2024

434

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1

Citations

Materials Science

Working Paper

CrossMat: Integrating Material Databases for Multi-Domain Cross-Application

Di Zhang, Xue Jia, Hung Ba Tran, Fangling Yang, Qian Wang, Hanghui Liu, Yaping Qi, Eric Jianfeng Cheng, Hao Li

Version 1 posted 30 December 2024

117

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Inorganic Chemistry

Working Paper

Controlled Synthesis of Cluster Mimics of Nitrogenase FeMo-cofactor

Yun-Yu Xu, Xue-Lian Jiang, Jia-Lu Chai, Shu-Juan Qiu, Juan He, Gan Xu, Jia Wei, Qiu-Xiang Yu, Hong-Ying Zhang, Yue Li, Xiao-Wen Zhang, Guo-Liang Cao, Yong Li, Yun-Shu Cui, Cong-Qiao Xu, Jun Li, Xu-Dong Chen

Version 1 posted 26 September 2024

1,017

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Theoretical and Computational Chemistry

Working Paper

The Training of Machine Learning Potentials for Reactive Systems: A Colab Tutorial on Basic Models

Xiaoliang Pan, Ryan Snyder, Jia-Ning Wang, Chance Lander, Carly Wickizer, Richard Van, Andrew Chesney, Yuanfei Xue, Yuezhi Mao, Ye Mei, Jingzhi Pu, Yihan Shao

Version 1 posted 25 August 2023

618

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Catalysis

Working Paper

Cloud Synthesis: A Global Close-Loop Feedback Powered by Autonomous AI-Driven Catalyst Design Agent

Di Zhang, Xue Jia, Heng Liu, Yuhang Wang, Songbo Ye, Qiuling Jiang, Yuan Wang, Linda Zhang, Li Wei, Weijie Yang, Haoxiang Xu, Daojian Cheng, Yusuke Hashimoto, Takaaki Tomai, Hao Li

Version 1 posted 30 December 2024

160

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Materials Chemistry

Working Paper

Divergent Activity Shifts of Sn-Based Catalysts for Electrochemical CO2 Reduction: pH-Dependent Behavior of Single-Atom vs. Polyatomic Structures

Yuhang WANG, Di Zhang, Bin Sun, Xue Jia, Linda Zhang, Hefeng Cheng, Jun Fan, Hao Li

Version 2 posted 25 November 2024

384

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Refine Search

17 results in Xue Jia in Authors: Xue Jia

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Copper-Catalyzed Three-Component Photo-ATRA-Type Reaction for Asymmetric Intermolecular C-O Coupling

More Than Carbazole Derivative Activates Room Temperature Ultralong Organic Phosphorescence of Benzoindole Derivative

Saturated F2-rings from Alkenes

Photoredox-Catalyzed Allylic C-H Fluorosulfonylation of Alkenes: Accessing Allyl Sulfonyl Fluorides

CrossMat: Integrating Material Databases for Multi-Domain Cross-Application

Controlled Synthesis of Cluster Mimics of Nitrogenase FeMo-cofactor

The Training of Machine Learning Potentials for Reactive Systems: A Colab Tutorial on Basic Models

Cloud Synthesis: A Global Close-Loop Feedback Powered by Autonomous AI-Driven Catalyst Design Agent

Divergent Activity Shifts of Sn-Based Catalysts for Electrochemical CO2 Reduction: pH-Dependent Behavior of Single-Atom vs. Polyatomic Structures

17 results in Authors: Xue Jia