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Theoretical and Computational Chemistry

Working Paper

Evaluating Polymer Representations via Quantifying Structure-Property Relationships

RUIMIN MA, Zeyu Liu, Quanwei Zhang, zhiyu liu, Tengfei Luo

Version 1 posted 02 May 2019

769

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Theoretical and Computational Chemistry

Working Paper

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

523

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Chemical Engineering and Industrial Chemistry

Working Paper

Direct Arsenic Removal from Water Using Non-Membrane, Low Temperature Directional Solvent Extraction

Jiaji Guo, Shirui Luo, Zeyu Liu, Tengfei Luo

Version 1 posted 12 February 2020

695

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Physical Chemistry

Working Paper

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Tian Lu, Qinxue Chen, Zeyu Liu

Version 2 posted 23 December 2019

7,520

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7

Citations

Materials Science

Working Paper

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

Zeyu Liu, Shugui Hua, Tian Lu, Ziqi Tian

Version 1 posted 03 April 2020

497

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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

452

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Bonding character, electron delocalization, and aromaticity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 6, 4, and 2): Focusing on the effect of -CO groups

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

Version 2 posted 10 August 2021

874

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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

283

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3

Citations

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

169

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Earth, Space, and Environmental Chemistry

Review

Dynamic Accumulation of the Quaternary Shale Biogas in Sanhu Area of the Qaidam Basin, China

Zeyu Shao, Shijie He, Lili Hou, Yuchao Wang, Cong Tian, Xiaoxue Liu, Yuru Zhou, Mianzhu Hao, Caihua Lin

Version 1 posted 31 May 2022

154

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3

Citations

Refine Search

21 results in Zeyu Liu in Authors: Zeyu Liu

Evaluating Polymer Representations via Quantifying Structure-Property Relationships

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

Direct Arsenic Removal from Water Using Non-Membrane, Low Temperature Directional Solvent Extraction

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

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

Bonding character, electron delocalization, and aromaticity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 6, 4, and 2): Focusing on the effect of -CO groups

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

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

Dynamic Accumulation of the Quaternary Shale Biogas in Sanhu Area of the Qaidam Basin, China

21 results in Authors: Zeyu Liu