World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
89
Citations
189148
World Ranking
2120
National Ranking
766

Physics

D-Index
94
Citations
194044
World Ranking
1949
National Ranking
1008

Overview

Robert G. Parr was affiliated with the University of North Carolina at Chapel Hill in the United States. Their research contributions focused on various topics within physical and theoretical chemistry, atomic and molecular physics, and materials chemistry.

Their published works explored advanced themes in chemical and physical molecular interactions, including thermal and kinetic analysis as well as chemical physics studies. The main topics associated with their research included:

  • Advanced Physical and Chemical Molecular Interactions
  • Advanced Chemical Physics Studies
  • Thermal and Kinetic Analysis

Robert G. Parr's recent papers, all published through UNC Libraries in 2021, encompassed the following:

  • "Is it impossible to find the universal density functional? Or is it just well-hidden?" (2021)
  • "Expansion of the density-functional energy components E c and T c in terms of moments of the electron density" (2021)
  • "Density-functional formulas for atomic electronic energy components in terms of moments of the electron density" (2021)

Their frequent collaborators included researchers Shubin Liu, Á. Nagy, and Paul W. Ayers, who co-authored multiple papers with them, indicating ongoing collaborative research relationships.

Robert G. Parr's work was primarily disseminated through UNC Libraries, the main venue for their publications. Their research contributions intersected multiple subfields, particularly:

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry

Robert G. Parr's academic output reflects a focus on theoretical formulations and expansions related to electron density and energy components in atomic and molecular systems, contributing to foundational areas of chemistry and physics.

Best Publications

  • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee;Weitao Yang;Robert G. Parr

  • Density-functional theory of atoms and molecules

    Robert G. Parr

  • Absolute hardness: companion parameter to absolute electronegativity

    Robert G. Parr;Ralph G. Pearson

  • Electronegativity: The density functional viewpoint

    Robert G. Parr;Robert A. Donnelly;Mel Levy;William E. Palke

  • Density Functional Theory of Electronic Structure

    W. Kohn;and A. D. Becke;R. G. Parr

  • Density functional approach to the frontier-electron theory of chemical reactivity

    Robert G. Parr;Weitao Yang

  • Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

    John P. Perdew;Robert G. Parr;Mel Levy;Jose L. Balduz

  • A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II

    Rudolph Pariser;Robert G. Parr

  • Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

    Weitao Yang;Robert G. Parr

  • Principle of maximum hardness

    Robert G. Parr;Pratim K. Chattaraj

  • Density-Functional Theory of the Electronic Structure of Molecules

    Robert G. Parr;Weitao Yang

  • Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited

    Paul W. Ayers;Robert G. Parr

  • Activation hardness: new index for describing the orientation of electrophilic aromatic substitution

    Zhongxiang Zhou;Robert G. Parr

  • Density Functional Theory

    Robert G. Parr

  • New alternative to the Dunham potential for diatomic molecules

    Gary Simons;Robert G. Parr;J. Michael Finlan

  • Electron density, Kohn−Sham frontier orbitals, and Fukui functions

    Weitao Yang;Robert G. Parr;R. Pucci

  • From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies.

    Qingsheng Zhao;Qingsheng Zhao;Robert C. Morrison;Robert C. Morrison;Robert G. Parr;Robert G. Parr

  • What is an atom in a molecule

    Robert G. Parr;Paul W. Ayers;Roman F. Nalewajski

  • New measures of aromaticity: absolute hardness and relative hardness

    Zhongxiang Zhou;Robert G. Parr

  • Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities

    Max L Berkowitz;Robert G. Parr

Frequent Co-Authors

Shubin Liu
Shubin Liu University of North Carolina at Chapel Hill
Paul W. Ayers
Paul W. Ayers McMaster University
Weitao Yang
Weitao Yang Duke University
Pratim K. Chattaraj
Pratim K. Chattaraj Birla Institute of Technology, Mesra
Swapan K. Ghosh
Swapan K. Ghosh Homi Bhabha National Institute
Alfred B. Anderson
Alfred B. Anderson Case Western Reserve University
Shridhar R. Gadre
Shridhar R. Gadre Savitribai Phule Pune University
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
Peter Politzer
Peter Politzer University of New Orleans
Max L. Berkowitz
Max L. Berkowitz University of North Carolina at Chapel Hill

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Best Scientists Citing Robert G. Parr