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Physical Chemistry

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Theoretical and Computational Chemistry

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Aihua Yuan

4 results in Authors: Aihua Yuan

Theoretical and Computational Chemistry

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

131

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Theoretical and Computational Chemistry

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

156

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Theoretical and Computational Chemistry

Remarkable Size Effect on Photophysical and Nonlinear Optical Properties of All-Carboatomic Rings, Cyclo[18]carbon and Its Analogues

Zeyu Liu, Tian Lu, Aihua Yuan, Qinxue Chen, Xiufen Yan

Version 2 posted 15 March 2021

515

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Physical Chemistry

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

274

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3

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