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Philippe C. Hiberty

Philippe C. Hiberty

D-Index & Metrics

Chemistry

D-Index
60
Citations
11746
World Ranking
9778
National Ranking
351

Overview

Philippe C. Hiberty is affiliated with the University of Paris-Saclay in France. Their research primarily focuses on the fields of Chemistry and Physics and Astronomy, with a significant contribution to subfields such as Physical and Theoretical Chemistry, Organic Chemistry, Atomic and Molecular Physics and Optics, Spectroscopy, and Inorganic Chemistry.

The scientist's work covers main topics including History and advancements in chemistry, Various Chemistry Research Topics, Advanced Chemical Physics Studies, Chemical Thermodynamics and Molecular Structure, Photochemistry and Electron Transfer Studies, Chemistry and Stereochemistry Studies, as well as Free Radicals and Antioxidants.

Philippe C. Hiberty has authored several recent papers, reflecting ongoing research interests and contributions across different areas of chemistry and chemical physics. These include:

  • Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects (2021, published in Molecules)
  • Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another (2021, Journal of Chemical Education)
  • On the nature of the chemical bond in valence bond theory (2022, The Journal of Chemical Physics)
  • Revealing a Decisive Role for Secondary Coordination Sphere Nucleophiles on Methane Activation (2020, Journal of the American Chemical Society)
  • Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide (2020, Journal of Chemical Theory and Computation)

Frequent co-authors collaborating with Philippe C. Hiberty include:

  • Sason Shaik
  • David Danovich
  • Benoı̂t Braı̈da
  • Wei Wu
  • Donald G. Truhlar

Their work has been published in a range of scientific journals, indicating a broad academic presence in key chemistry and physics communities. Frequent publication venues include:

  • Molecules
  • Journal of Chemical Education
  • The Journal of Chemical Physics
  • Journal of the American Chemical Society
  • Journal of Chemical Theory and Computation

Best Publications

  • A Chemist's Guide to Valence Bond Theory

    Sason S. Shaik;Philippe C Hiberty

  • Charge-shift bonding and its manifestations in chemistry

    Sason Shaik;David Danovich;Wei Wu;Philippe C. Hiberty

  • Is delocalization a driving force in chemistry? Benzene, allyl radical, cyclobutadiene, and their isoelectronic species

    Sason S. Shaik;Philippe C. Hiberty;Jean Michel Lefour;Gilles Ohanessian

  • A different story of pi-delocalization--the distortivity of pi-electrons and its chemical manifestations.

    Sason Shaik;Avital Shurki;David Danovich;Philippe C. Hiberty

  • Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.

    Sason Shaik;David Danovich;Bernard Silvi;David L. Lauvergnat

  • Classical Valence Bond Approach by Modern Methods

    Wei Wu;Peifeng Su;Sason Shaik;Philippe C. Hiberty

  • Compact and accurate valence bond functions with different orbitals for different configurations: application to the two-configuration description of F2

    P.C. Hiberty;J.P. Flament;E. Noizet

  • A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies

    Benoît Braïda;Philippe C. Hiberty;Andreas Savin

  • HOST-GUEST COMPLEXATION. 2. STRUCTURAL UNITS THAT CONTROL ASSOCIATION CONSTANTS BETWEEN POLYETHERS AND TERT-BUTYLAMMONIUM SALTS

    Joseph M. Timko;Stephen S. Moore;David M. Walba;Philippe C. Hiberty

  • Quadruple bonding in C 2 and analogous eight-valence electron species

    Sason Shaik;David Danovich;Wei Wu;Peifeng Su

  • Compact valence bond functions with breathing orbitals: Application to the bond dissociation energies of F2 and FH

    Philippe C. Hiberty;Stéphane Humbel;Carsten P. Byrman;Joop H. van Lenthe

  • Breathing-orbital valence bond method - a modern valence bond method that includes dynamic correlation

    Philippe C. Hiberty;Sason Shaik

  • Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications

    Vlasta Bonačić-Koutecký;Peter Bruckmann;Philippe Hiberty;Jaroslav Koutecký

  • A conversation on VB vs MO theory: a never-ending rivalry?

    Roald Hoffmann;Sason Shaik;Philippe C. Hiberty

  • Role of Conjugation in the Stabilities and Rotational Barriers of Formamide and Thioformamide. An ab Initio Valence-Bond Study

    David Lauvergnat and;Philippe C. Hiberty

  • When does electronic delocalization become a driving force of molecular shape and stability? 1. The aromatic sextet

    Sason S. Shaik;Philippe C. Hiberty

  • When does electronic delocalization become a driving force of chemical bonding

    Sason S. Shaik;Philippe C. Hiberty;Gilles Ohanessian;Jean Michel Lefour

  • The charge-shift bonding concept. Electron-pair bonds with very large ionic-covalent resonance energies

    Sason Shaik;Philippe Maitre;Gjergji Sini;Philippe C. Hiberty

  • Why Does Benzene Possess a D6h Symmetry? A Quasiclassical State Approach for Probing .pi.-Bonding and Delocalization Energies

    Philippe C. Hiberty;David Danovich;Avital Shurki;Sason Shaik

  • Expansion of molecular orbital wave functions into valence bond wave functions. A simplified procedure

    Unknown

  • A Different Story of π-Delocalization — The Distortivity of π-Electrons and Its Chemical Manifestations

    Sason Shaik;Avital Shurki;David Danovich;Philippe C. Hiberty

Frequent Co-Authors

Sason Shaik
Sason Shaik Hebrew University of Jerusalem
Gilles Ohanessian
Gilles Ohanessian École Polytechnique
Wei Wu
Wei Wu Xiamen University
Warren J. Hehre
Warren J. Hehre University of California, Irvine
Philippe Maître
Philippe Maître University of Paris-Saclay
Claude Leforestier
Claude Leforestier University of Montpellier
Donald G. Truhlar
Donald G. Truhlar University of Minnesota
Mark S. Gordon
Mark S. Gordon Iowa State University
Yirong Mo
Yirong Mo Western Michigan University
Vlasta Bonačić-Koutecký
Vlasta Bonačić-Koutecký University of Split

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