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Theoretical and Computational Chemistry

Working Paper

Norm-Conserving 4f-in-core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides

Jun-Bo Lu, Xue-Lian Jiang, Han-Shi Hu, Jun Li

Version 1 posted 13 September 2022

574

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Theoretical and Computational Chemistry

Working Paper

Periodic Law of Chemistry Overturns for Superheavy Elements

Chang-Su Cao, Han-Shi Hu, W. H. Eugen Schwarz, Jun Li

Version 1 posted 16 November 2022

380

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

Jun-Bo Lu, David Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jun Li

Version 1 posted 11 January 2021

592

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Theoretical and Computational Chemistry

Working Paper

A Novel Series of Single-Cluster Catalysts: Transition Metal Trimer Clusters Supported on Graphdiyne

Jin-Cheng Liu, Hai Xiao, Xiao-Kun Zhao, Nan-Nan Zhang, Yuan Liu, Deng-Hui Xing, Xiaohu Yu, Han-Shi Hu, Jun Li

Version 1 posted 30 October 2020

977

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3

Citations

Polymer Science

Working Paper

Tuning the Luminescence of Polyacrylonitriles by Controlled Polymerization

Xinyu Li, Zijian Chen, Shiping Shi, Jun Yuan, Wen-wu Sun, Yiliu Liu, Shi-jian Su, Joachim Loos, Kunkun Liu, Tao Wen

Version 1 posted 22 March 2023

177

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Materials Chemistry

Working Paper

Phononic Modulation of Spin-Lattice Relaxation in Molecular Qubit Frameworks

Aimei Zhou, Denan Li, Mingshu Tan, Yanpei Lv, Simin Pang, Xinxing Zhao, Zhifu Shi, Jun Zhang, Feng Jin, Shi Liu, Lei Sun

Version 3 posted 07 November 2024

484

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Catalysis

Working Paper

Ligand-Assisted Gold-Catalyzed Efficient Alkynylative Cyclization with Terminal Alkynes Using H2O2 as Oxidant

A. Stephen K. Hashmi, Hongwei Shi, Martin C. Dietl, Philipp M. Stein, Matthias Rudolph, Tao Wang, Jun Li, Petra Krämer, Frank Rominger

Version 1 posted 12 October 2022

484

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Analytical Chemistry

Working Paper

Chemiluminescence signature arrays coupling with machine learning for Alzheimer’s disease serum diagnosis

Biyue Zhu, Yanbo Li, Shi Kuang, Astra Yu, Jing Zhang, Jun Yang, Johnson Wang, Shiqian Shen, Xuan Zhai, Jiajun Xie, Chongzhao Ran

Version 1 posted 18 September 2024

83

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Inorganic Chemistry

Working Paper

Isolation and Characterization of a U≡C Triple Bond in Isolable Fullerene Compounds

Yang-Rong Rao, Jing Zhao, Qingyu Meng, Hu Han-Shi, Min Guo, Yingjing Yan, Jiaxin Zhuang, Shangfeng Yang, Skye Fortier, Luis Echegoyen, Eugen Schwarz, Jun Li, Ning Chen

Version 1 posted 23 August 2023

263

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Physical Chemistry

Working Paper

Probing the Breathing of Reactive Electrical Double Layer

Li Xiao-Yu, Yu-Chen Cai, Zhao-Dong Meng, Ze-Tong Jia, Jin-Yu Ye, Na Tian, Zhi-You Zhou, Jun Huang, Shi-Gang Sun, Tao Wang

Version 1 posted 13 August 2024

261

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Refine Search

11 results in Shi-Jun Li in Authors: Shi-Jun Li

Norm-Conserving 4f-in-core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides

Periodic Law of Chemistry Overturns for Superheavy Elements

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

A Novel Series of Single-Cluster Catalysts: Transition Metal Trimer Clusters Supported on Graphdiyne

Tuning the Luminescence of Polyacrylonitriles by Controlled Polymerization

Phononic Modulation of Spin-Lattice Relaxation in Molecular Qubit Frameworks

Ligand-Assisted Gold-Catalyzed Efficient Alkynylative Cyclization with Terminal Alkynes Using H2O2 as Oxidant

Chemiluminescence signature arrays coupling with machine learning for Alzheimer’s disease serum diagnosis

Isolation and Characterization of a U≡C Triple Bond in Isolable Fullerene Compounds

Probing the Breathing of Reactive Electrical Double Layer

11 results in Authors: Shi-Jun Li