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Catalysis

Working Paper

The CatMath: An Online Predictive Platform for Thermal + Electrocatalysis

Heng Liu, Hao Zheng, Zhenhe Jia, Binghui Zhou, Yan Liu, Xuelu Chen, Yajun Feng, Li Wei, Weijie Yang, Hao Li

Version 1 posted 11 September 2023

160

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Polymer Science

Working Paper

Hydrogen Bonding-Induced Oxygen Clusters and Long-Lived Room Temperature Phosphorescence from Amorphous Polylols

Bin Liu, Kang Chen, Ya-Ling Wang, Hai-Ru Li, Bo Chu, Zi-Shan Yan, Hao-Ke Zhang, Yong-Zhen Yang, Shengliang Hu, Xing-Hong Zhang

Version 1 posted 09 June 2022

228

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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

166

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Organic Chemistry

Working Paper

A ‘glyco-fluorine’ code revealing differential recognition by glycan binding partners

Kristian Hollingsworth, Antonio Di Maio, Sarah-Jane Richards, Jean-Baptiste Vendeville, David E. Wheatley, Claire E. Council, Tessa Keenan, Helene Ledru, Harriet Chidwick, Huang Kun, Fabio Parmeggiani, Andrea Marchesi, Wengang Chai, Ryan McBerney, Tomasz P. Kaminski, Matthew R. Balmforth, Alexandra Tamasanu, Simon Charnock, Stuart L. Warriner, Michael E. Webb, Martin A. Fascione, Sabine Flitsch, M. Carmen Galan, Ten Feizi, Matthew I. Gibson, Yan Liu, W. Bruce Turnbull, Bruno Linclau

Version 1 posted 10 July 2023

508

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Theoretical and Computational Chemistry

Working Paper

Size dependence of electronic spectrum for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for carbyne

Jiaojiao Wang, Zeyu Liu, Qing Zhou, Tian Lu, Xia Wang, Xiufen Yan, Mengdi Zhao, Aihua Yuan

Version 1 posted 03 October 2022

143

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Theoretical and Computational Chemistry

Working Paper

Size dependence of optical nonlinearity for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for long chains

Zeyu Liu, Jiaojiao Wang, Qing Zhou, Tian Lu, Xia Wang, Xiufen Yan, Mengdi Zhao, Aihua Yuan

Version 1 posted 19 October 2022

104

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Biological and Medicinal Chemistry

Working Paper

A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Stacie Canan, Takaya Togo, Linh Tram, Laura Denton, Xochina ElHilali-Pollard, Jun Gu, Jinglei Jiang, Chenglei Liu, Yan Zhao, Yanlong Zhao, Yingzhe Zheng, Yunping Zheng, Jingjing Yang, Michelle Arkin, Panpan Fan, Deqian Sun, Steven Wheeler, Adam Renslo

Version 1 posted 16 December 2022

396

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Theoretical and Computational Chemistry

Working Paper

Unveiling the Energy Storage Mechanism of MXenes under the Acidic Condition through Transitions of Surface Functionalizations

Zheng Bo, Yucheng Chen, Qian Yu, Jianhua Yan, Kefa Cen, Zhu Liu

Version 1 posted 11 October 2023

119

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Catalysis

Working Paper

Spin-Polarized Oxygen Evolution Reaction Under Magnetic Field

Xiao Ren, Tianze Wu, Yuanmiao Sun, Yan Li, Guoyu Xian, Xianhu Liu, Chengmin Sheng, Jose Gracia, Hong-jun Gao, Haitao Yang, Zhichuan J. Xu

Version 1 posted 17 March 2021

773

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Physical Chemistry

Working Paper

Tuning Electronic Structure and Optical Properties of Li@cyclo[18]carbon Complex via Switching Doping Position of Lithium Atom

Zeyu Liu, Xia Wang, Tian Lu, Aihua Yuan, Xiufen Yan

Version 1 posted 18 May 2021

260

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3

Citations

Refine Search

82 results in Yan Liu in Authors: Yan Liu

The CatMath: An Online Predictive Platform for Thermal + Electrocatalysis

Hydrogen Bonding-Induced Oxygen Clusters and Long-Lived Room Temperature Phosphorescence from Amorphous Polylols

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

A ‘glyco-fluorine’ code revealing differential recognition by glycan binding partners

Size dependence of electronic spectrum for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for carbyne

Size dependence of optical nonlinearity for H-capped carbon chains, H-(C≡C)n-H: Analysis of its nature and prediction for long chains

A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Unveiling the Energy Storage Mechanism of MXenes under the Acidic Condition through Transitions of Surface Functionalizations

Spin-Polarized Oxygen Evolution Reaction Under Magnetic Field

Tuning Electronic Structure and Optical Properties of Li@cyclo[18]carbon Complex via Switching Doping Position of Lithium Atom

82 results in Authors: Yan Liu