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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

128

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Theoretical and Computational Chemistry

Working Paper

Graphical understanding of electron delocalization and aromatic characteristic of unusual cyclo[18]carbon precursor, C18Br6

Xia Wang, Zeyu Liu, Jiaojiao Wang, Tian Lu, Weiwei Xiong, Xiufen Yan, Mengdi Zhao

Version 1 posted 28 November 2022

313

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Theoretical and Computational Chemistry

Working Paper

Photophysical property and optical nonlinearity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 2, 4, and 6): Focusing on the effect of carbonyl (-CO) groups

Xia Wang, Zeyu Liu, Xiufen Yan, Tian Lu, Haowei Wang, Weiwei Xiong

Version 1 posted 20 September 2021

249

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Theoretical and Computational Chemistry

Working Paper

Novel dual-motor nanorotator assembled by cyclo[18]carbon and figure-eight carbon hoop

Zeyu Liu, Xia Wang, Tian Lu, Jiaojiao Wang, Mengdi Zhao, Xiufen Yan

Version 1 posted 01 July 2022

358

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3

Citations

Inorganic Chemistry

Working Paper

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

Xia-Li Ding, Yuan-Qi Zhai, Tian Han, Wei-Peng Chen, You-Song Ding, Yan-Zhen Zheng

Version 1 posted 24 July 2020

716

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Catalysis

Working Paper

The Role of Benzothiadiazole Unit in Organic Polymers on Photocatalytic Hydrogen Production

Martin Axelsson, Ziyang Xia, Sicong Wang, Ming Cheng, Haining Tian

Version 1 posted 11 July 2023

202

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2

Citations

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

95

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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

115

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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

257

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3

Citations

Organometallic Chemistry

Working Paper

Ligand-Free Iron-Catalyzed Regiodivergent Hydroboration of Unactivated Terminal Alkenes

Wei Su, Ruixiao Qiao, Xiaoli Zheng, Xia Tian, Jianrong Han, Shiming Fan, Qiushi Cheng, Shouxin Liu

Version 1 posted 07 January 2020

719

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1

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Refine Search

11 results in Xia Tian in Authors: Xia Tian

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

Graphical understanding of electron delocalization and aromatic characteristic of unusual cyclo[18]carbon precursor, C18Br6

Photophysical property and optical nonlinearity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 2, 4, and 6): Focusing on the effect of carbonyl (-CO) groups

Novel dual-motor nanorotator assembled by cyclo[18]carbon and figure-eight carbon hoop

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

The Role of Benzothiadiazole Unit in Organic Polymers on Photocatalytic Hydrogen Production

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

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

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

Ligand-Free Iron-Catalyzed Regiodivergent Hydroboration of Unactivated Terminal Alkenes

11 results in Authors: Xia Tian