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D-Index & Metrics

Chemistry

D-Index
65
Citations
14665
World Ranking
7685
National Ranking
2247

Overview

Shubin Liu is affiliated with the University of North Carolina at Chapel Hill in the United States. The primary field of research focuses on Chemistry, with a significant number of publications amounting to 146. Their work spans several specialized subfields, including Organic Chemistry, Atomic and Molecular Physics and Optics, Materials Chemistry, Physical and Theoretical Chemistry, and Computational Theory and Mathematics.

The research topics covered by Shubin Liu encompass Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Crystallography and molecular interactions, Crystallization and Solubility Studies, and X-ray Diffraction in Crystallography.

Frequent coauthors collaborating with Liu include Chunying Rong, Dongbo Zhao, Paul W. Ayers, Xin He, and Yilin Zhao. Publication venues where their work appears regularly include UNC Libraries, The Cambridge Structural Database, Physical Chemistry Chemical Physics, Journal of Chemical Theory and Computation, and Theoretical Chemistry Accounts.

Selected recent papers highlight diverse research areas and publication outlets:

  • Elacestrant (oral selective estrogen receptor degrader) Versus Standard Endocrine Therapy for Estrogen Receptor-Positive, Human Epidermal Growth Factor Receptor 2-Negative Advanced Breast Cancer: Results From the Randomized Phase III EMERALD Trial (2022, Journal of Clinical Oncology)
  • Conceptual density functional theory: status, prospects, issues (2020, Theoretical Chemistry Accounts)
  • IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS-I: REGULAR PAPERS (2022, IEEE Transactions on Circuits and Systems I Regular Papers)
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022, Physical Chemistry Chemical Physics)
  • On the origin and nature of internal methyl rotation barriers: an information-theoretic approach study (2022, Theoretical Chemistry Accounts)

Best Publications

  • Development of fluorinated benzothiadiazole as a structural unit for a polymer solar cell of 7 % efficiency.

    Huaxing Zhou;Liqiang Yang;Andrew C. Stuart;Samuel C. Price

  • Highly porous and stable metal–organic frameworks for uranium extraction

    Michaël Carboni;Carter W. Abney;Shubin Liu;Wenbin Lin

  • Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells

    Andrew C. Stuart;John R. Tumbleston;Huaxing Zhou;Wentao Li

  • Conceptual density functional theory: status, prospects, issues

    Paul Geerlings;Eduardo Chamorro;Pratim Kumar Chattaraj;Frank De Proft

  • A biomimetic copper water oxidation catalyst with low overpotential.

    Teng Zhang;Cheng Wang;Cheng Wang;Shubin Liu;Jin-Liang Wang

  • Steric effect: A quantitative description from density functional theory

    Shubin Liu

  • A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge

    Bin Wang;Chunying Rong;Pratim K. Chattaraj;Shubin Liu

  • Donor-Acceptor Polymers Incorporating Alkylated Dithienylbenzothiadiazole for Bulk Heterojunction Solar Cells: Pronounced Effect of Positioning Alkyl Chains

    Huaxing Zhou;Liqiang Yang;Shengqiang Xiao;Shengqiang Xiao;Shubin Liu

  • Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory

    Ying Huang;Chunying Rong;Ruiqin Zhang;Shubin Liu

  • Information conservation principle determines electrophilicity, nucleophilicity, and regioselectivity

    Shubin Liu;Chuying Rong;Tian Lu

  • On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules.

    Shubin Liu

  • Development, mechanism, and scope of the palladium-catalyzed enantioselective allene diboration.

    Heather E. Burks;Shubin Liu;James P. Morken

  • Cavity-induced enantioselectivity reversal in a chiral metal–organic framework Brønsted acid catalyst

    Min Zheng;Yan Liu;Cheng Wang;Shubin Liu

  • Estimation of Molecular Acidity via Electrostatic Potential at the Nucleus and Valence Natural Atomic Orbitals

    Shubin Liu;Lee G. Pedersen

  • Information-Theoretic Approach in Density Functional Reactivity Theory

    Shu-Bin Liu

  • Origin and nature of bond rotation barriers: a unified view.

    Shubin Liu

  • Nonorthogonal localized molecular orbitals in electronic structure theory

    Shubin Liu;José M. Pérez-Jordá;Weitao Yang

  • Quantifying Reactivity for Electrophilic Aromatic Substitution Reactions with Hirshfeld Charge

    Shubin Liu

  • Dynamic behavior of chemical reactivity indices in density functional theory: A Bohn-Oppenheimer quantum molecular dynamics study

    Shubin Liu

  • Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom

    Dong-Xia Zhao;Cui Liu;Fang-Fang Wang;Chun-Yang Yu

  • Expansions of the correlation-energy density functional E c [ρ] and its kinetic-energy component T c [ρ] in terms of homogeneous functionals

    Shubin Liu;Robert G. Parr

  • Information‐theoretic approach in density functional theory and its recent applications to chemical problems

    Chunying Rong;Bin Wang;Dongbo Zhao;Shubin Liu

Frequent Co-Authors

Robert G. Parr
Robert G. Parr University of North Carolina at Chapel Hill
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
Paul W. Ayers
Paul W. Ayers McMaster University
Wei You
Wei You University of North Carolina at Chapel Hill
Pratim K. Chattaraj
Pratim K. Chattaraj Birla Institute of Technology, Mesra
Lee G. Pedersen
Lee G. Pedersen University of North Carolina at Chapel Hill
Paul Geerlings
Paul Geerlings Vrije Universiteit Brussel
Dulin Yin
Dulin Yin Hunan Normal University
Dongho Kim
Dongho Kim Yonsei University
Ji-Chang Xiao
Ji-Chang Xiao Chinese Academy of Sciences

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