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Mechanochemical Synthesis of Elusive Fluorinated Polyacetylene

Benjamin R. Boswell, Carl M. F. Mansson, Jordan M Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven Lopez, Noah Z. Burns

Version 1 posted 13 December 2019

1,581

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1

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Theoretical and Computational Chemistry

Working Paper

A Very Deep Graph Convolutional Network for 13C NMR Chemical Shift Calculation with Density Functional Theory Level Performance for Structure Assignment

Wen-Jing Ai, Jing Li, Dongsheng Cao, Shao Liu, Yi-Yun Yuan, Yan Li, Gui-Shan Tan, Kang-Ping Xu, Xia Yu, Fenghua Kang, Zhen-Xing Zou, Wen-Xuan Wang

Version 2 posted 05 June 2023

271

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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

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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

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

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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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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Inorganic Chemistry

Working Paper

A Linear "Head-to-Tail" Chlorido-Bridged Didysprosium Single-Molecule Magnet Exhibiting 100-s Blocking Temperature near 8 K

Xia-Li Ding, Yuan-Qi Zhai, Qian-Cheng Luo, Chao Wu, Yan-Zhen Zheng

Version 1 posted 18 June 2021

366

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Polymer Science

Working Paper

Accurate Determination of Reactivity Ratios for Copolymerization Reactions with Reversible Propagation Mechanisms

David Lundberg, Landon Kilgallon, Julian Cooper, Francesca Starvaggi, Yan Xia, Jeremiah Johnson

Version 1 posted 22 January 2024

377

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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

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16 results in Yan Xia in Authors: Yan Xia

Mechanochemical Synthesis of Elusive Fluorinated Polyacetylene

A Very Deep Graph Convolutional Network for 13C NMR Chemical Shift Calculation with Density Functional Theory Level Performance for Structure Assignment

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

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

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

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

A Linear "Head-to-Tail" Chlorido-Bridged Didysprosium Single-Molecule Magnet Exhibiting 100-s Blocking Temperature near 8 K

Accurate Determination of Reactivity Ratios for Copolymerization Reactions with Reversible Propagation Mechanisms

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

16 results in Authors: Yan Xia