Robert G. Parr

Research interests

Publications

• What Is an Atom in a Molecule?

  The Journal of Physical Chemistry A · 2005 · 10.1021/jp0404596

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

  Journal of the American Chemical Society · 2000 · 10.1021/ja9924039

• Electrophilicity Index

  Journal of the American Chemical Society · 1999 · https://doi.org/10.1021/ja983494x

• Density Functional Theory of Electronic Structure

  The Journal of Physical Chemistry · 1996 · https://doi.org/10.1021/jp960669l

• Density-Functional Theory of Atoms and Molecules

  Oxford University Press eBooks · 1995 · 10.1093/oso/9780195092769.001.0001

• Density-Functional Theory of the Electronic Structure of Molecules

  Annual Review of Physical Chemistry · 1995 · https://doi.org/10.1146/annurev.pc.46.100195.003413

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

  Physical Review A · 1994 · 10.1103/physreva.50.2138

• HSAB principle

  Journal of the American Chemical Society · 1991 · 10.1021/ja00005a073

• Principle of maximum hardness

  Journal of the American Chemical Society · 1991 · 10.1021/ja00005a072

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

  Journal of the American Chemical Society · 1990 · 10.1021/ja00171a007

• New measures of aromaticity: absolute hardness and relative hardness

  Journal of the American Chemical Society · 1989 · 10.1021/ja00201a014

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

  The Journal of Chemical Physics · 1988 · 10.1063/1.454034

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

  Physical review. B, Condensed matter · 1988 · https://doi.org/10.1103/physrevb.37.785

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

  Proceedings of the National Academy of Sciences · 1985 · 10.1073/pnas.82.20.6723

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

  Journal of the American Chemical Society · 1984 · https://doi.org/10.1021/ja00326a036

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

  The Journal of Chemical Physics · 1984 · 10.1063/1.447964

• Density Functional Theory

  Annual Review of Physical Chemistry · 1983 · 10.1146/annurev.pc.34.100183.003215

• Absolute hardness: companion parameter to absolute electronegativity

  Journal of the American Chemical Society · 1983 · https://doi.org/10.1021/ja00364a005

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

  Physical Review Letters · 1982 · 10.1103/physrevlett.49.1691

• Density Functional Theory of Atoms and Molecules

  Journal · 1980 · https://doi.org/10.1007/978-94-009-9027-2_2

• Electronegativity: The density functional viewpoint

  The Journal of Chemical Physics · 1978 · 10.1063/1.436185

• Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density

  The Journal of Chemical Physics · 1975 · 10.1063/1.430509

• New alternative to the Dunham potential for diatomic molecules

  The Journal of Chemical Physics · 1973 · 10.1063/1.1680464

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

  The Journal of Chemical Physics · 1953 · 10.1063/1.1699030

• A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

  The Journal of Chemical Physics · 1953 · 10.1063/1.1698929

Current projects

No projects listed.