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Theoretical and Computational Chemistry

Working Paper

Alkali-metal ions (M+ = Li+, Na+, K+, Rb+, and Cs+) endohedral cyclo[18]carbon (C18): Exploring binding interactions and predicting optical properties

Yang Xiao, Yinling Xiao, Xia Wang, Yixiao Chen, Xiufen Yan, Zeyu Liu, Tian Lu

Version 1 posted 07 March 2024

182

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Biological and Medicinal Chemistry

Working Paper

A Photo-triggered Wittig-Cyclization for Detecting and Sequencing 5-Formylcytidine in RNA

Liang Cheng, Xiao-Yang Jin, Zu-Rui Huang, Da-Li Han, Li-Jun Xie, Li Liu

Version 1 posted 06 May 2022

467

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Energy

Working Paper

Structural Disorder Determines Capacitance in Nanoporous Carbons

Xinyu Liu, Dongxun Lyu, Céline Merlet, Matthew Leesmith, Xiao Hua, Zhen Xu, Clare Grey, Alexander Forse

Version 1 posted 20 December 2023

801

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential

Weiqiang Fu, Yujie Mo, Yi Xiao, Chang Liu, Feng Zhou, Yang Wang, Jielong Zhou, Yingsheng Zhang

Version 1 posted 20 September 2023

330

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Catalysis

Working Paper

beta-Silicon Effect Enables Metal-Free Site-Selective Intermolecular Allylic C−H Amination

Shuang Lin, Yuan Liu, Kun-Yu Gao, Zhi-Hao Chen, Jiasheng Qian, Xiao-Bin Liu, Qingjiang Li, Honggen Wang

Version 1 posted 08 March 2024

338

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Analytical Chemistry

Working Paper

An Efficient Approach for Obtaining Small and Macro-molecular 1H NMR Spectra Based on Neural Network

xiongjie xiao, Qianqian Wang, Xin Chai, Xu Zhang, Bin Jiang, Maili Liu

Version 1 posted 23 January 2024

92

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Biological and Medicinal Chemistry

Working Paper

N-Phenyl-2-Pyridone-Derived Endoperoxide Exhibiting Dual Activity by Suppressing both Lung Cancer and Idiopathic Pulmonary Fibrosis

Lei Wang, Hao Wu, Ziang Liu, Yanping Li, Yu Si, Rensong Sun, Yun Nie, Yuan Qiao, Xiao Qian, Shengli Zhang, Wen Sun, Yue Pan, Engin U. Akkaya

Version 1 posted 07 February 2024

149

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Analytical Chemistry

Working Paper

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Qianqian Wang, Zhiwei Miao, Xiongjie Xiao, Xu Zhang, Daiwen Yang, Bin Jiang, Maili Liu

Version 2 posted 11 October 2023

203

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Analytical Chemistry

Working Paper

Prediction of Protein B-factor Profiles based on Bidirectional Long Short-Term Memory Network

Qianqian Wang, Xiongjie Xiao, Zhiwei Miao, Xu Zhang, Bin Jiang, Maili Liu

Version 1 posted 14 September 2023

197

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Organic Chemistry

Working Paper

Enantioselective Nickel-Catalyzed Reductive Decarboxylative C(sp3)-C(sp2) Cross-Coupling of Malonic Acid Derivatives

Jia-Bao Wang, Shuai-Shuai Fang, Yu Shen, Xiao-Ting Liu, Ming-Hong Li, Ming Shang

Version 1 posted 11 May 2023

821

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64 results in Xiao Liu in Authors: Xiao Liu

Alkali-metal ions (M+ = Li+, Na+, K+, Rb+, and Cs+) endohedral cyclo[18]carbon (C18): Exploring binding interactions and predicting optical properties

A Photo-triggered Wittig-Cyclization for Detecting and Sequencing 5-Formylcytidine in RNA

Structural Disorder Determines Capacitance in Nanoporous Carbons

Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential

beta-Silicon Effect Enables Metal-Free Site-Selective Intermolecular Allylic C−H Amination

An Efficient Approach for Obtaining Small and Macro-molecular 1H NMR Spectra Based on Neural Network

N-Phenyl-2-Pyridone-Derived Endoperoxide Exhibiting Dual Activity by Suppressing both Lung Cancer and Idiopathic Pulmonary Fibrosis

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Prediction of Protein B-factor Profiles based on Bidirectional Long Short-Term Memory Network

Enantioselective Nickel-Catalyzed Reductive Decarboxylative C(sp3)-C(sp2) Cross-Coupling of Malonic Acid Derivatives

64 results in Authors: Xiao Liu