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Theoretical and Computational Chemistry

Working Paper

Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation

Jingchun Wang, DaDi Zhang, Rui-Xue Xu, ChiYung Yam, GuanHua Chen, Xiao Zheng

Version 1 posted 17 May 2021

420

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Catalysis

Working Paper

Carbonylative Cross-Electrophile Coupling Between Aryl Bromides and Aryl Triflates Enabled by Palladium and Rhodium Cooperative Catalysis

Xue Xiao, Gang Chen, Xuemei Zhang, Søren Kramer, Zhong Lian

Version 1 posted 25 June 2021

653

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Organic Chemistry

Working Paper

Iron Catalyzed Formal [3+2] Cycloaddition of Tetrahydroisoquinoline Affording Amide-bearing Dihydropyrrolo[2,1-a]isoquinolines

Si-Wei Liu, Dan-Dan Ma, Xin-Xin Zhu, Cheng-Dan Luo, Hui-Lin Tan, Xiao-Li Ju, Xue Tan, Xiao-Hui Tang, Jie Huang, Jia Wang, Xian-Xun Wang, Hai-Lei Cui

Version 1 posted 25 March 2020

488

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Organic Chemistry

Working Paper

Construction of axial chirality via asymmetric radical trapping by cobalt under visible light

Liang-Qiu Lu, Wen-Jing Xiao, Xuan Jiang, Wei Xiong, Shuang Deng, Fu-Dong Lu, Yue Jia, Qian Yang, Li-Yuan Xue, Xiaotian Qi, Jon A. Tunge

Version 1 posted 18 January 2022

684

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Materials Chemistry

Working Paper

Multiselective gridization achieved by electrophilic C-X activation of dual halogen bonding cooperation

Linghai Xie, Ying Wei, Chunxiao Zhong, Qian Peng, Qiujing Bao, Dongqing Lin, Xinzhe Peng, Hongjian Wang, Xinming Hu, He Zhang, Xue Du, Bin Sun, Kang Xiao, Wei HUANG

Version 1 posted 02 August 2022

276

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Organic Chemistry

Working Paper

A Unified and Bio-inspired Total Syntheses of Cochlearol B and Ganocins A-C via a Cyclobutane as Overbred Intermedi-ate

Zhiyu Gao, Lu Yu, Li Ren, Huachao Wang, Ruizhi Wang, Jin-Ming Gao, Xiao-Song Xue, hongdong hao

Version 1 posted 11 August 2022

660

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4

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Theoretical and Computational Chemistry

Working Paper

A Semilocal Machine-Learning Correction to Density Functional Approximations

Jingchun Wang, Yao Wang, Rui-Xue Xu, GuanHua Chen, Zheng Xiao

Version 2 posted 27 February 2023

345

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Theoretical and Computational Chemistry

Working Paper

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

1,132

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Organic Chemistry

Working Paper

ESIPT-Based Fluorescence Probe for the Ratiometric Detection of Superoxide

Luling Wu, Liyuan Liu, Hai-Hao Han, Xue Tian, Maria Odyniec, Adam Sedgwick, Xiao-Peng He, Steven Bull, Tony James

Version 1 posted 07 November 2018

588

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Organic Chemistry

Working Paper

Direct Hydroxylarylation of Benzylic Carbons (sp3/sp2/sp) via Radical-Radical Cross-Coupling Powered by Paired Electrolysis

Xiao-Wen Wang, Rui-Xue Li, Yang Deng, Zhi Guan, Chu-Sheng Huang, Yan-Hong He

Version 2 posted 07 June 2022

1,093

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1

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Refine Search

24 results in Xue Xiao in Authors: Xue Xiao

Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation

Carbonylative Cross-Electrophile Coupling Between Aryl Bromides and Aryl Triflates Enabled by Palladium and Rhodium Cooperative Catalysis

Iron Catalyzed Formal [3+2] Cycloaddition of Tetrahydroisoquinoline Affording Amide-bearing Dihydropyrrolo[2,1-a]isoquinolines

Construction of axial chirality via asymmetric radical trapping by cobalt under visible light

Multiselective gridization achieved by electrophilic C-X activation of dual halogen bonding cooperation

A Unified and Bio-inspired Total Syntheses of Cochlearol B and Ganocins A-C via a Cyclobutane as Overbred Intermedi-ate

A Semilocal Machine-Learning Correction to Density Functional Approximations

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

ESIPT-Based Fluorescence Probe for the Ratiometric Detection of Superoxide

Direct Hydroxylarylation of Benzylic Carbons (sp3/sp2/sp) via Radical-Radical Cross-Coupling Powered by Paired Electrolysis

24 results in Authors: Xue Xiao