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Patrick Bultinck

Patrick Bultinck

D-Index & Metrics

Chemistry

D-Index
59
Citations
11172
World Ranking
10260
National Ranking
133

Overview

Patrick Bultinck is affiliated with Ghent University in Belgium and focuses on research within the fields of Physics and Astronomy, Chemistry, and Materials Science. Their work primarily explores subfields including Atomic and Molecular Physics, and Optics; Materials Chemistry; Spectroscopy; Physical and Theoretical Chemistry; and Organic Chemistry.

The scientist's research topics cover Spectroscopy and Quantum Chemical Studies, Molecular Spectroscopy and Chirality, Advanced Chemical Physics Studies, Crystallization and Solubility Studies, X-ray Diffraction in Crystallography, Crystallography and Molecular Interactions, and Quantum Many-Body Systems.

Patrick Bultinck's recent papers include:

  • Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? (2022, Journal of the American Chemical Society)
  • Richardson-Gaudin mean-field for strong correlation in quantum chemistry (2020, The Journal of Chemical Physics)
  • Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field (2022, arXiv (Cornell University))
  • A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products (2020, Physical Chemistry Chemical Physics)
  • GQCP: The Ghent Quantum Chemistry Package (2021, The Journal of Chemical Physics)

Frequent coauthors collaborating with Bultinck include:

  • Guillaume Acke (13 publications)
  • Wouter Herrebout (11 publications)
  • Tom Vermeyen (11 publications)
  • Stijn De Baerdemacker (9 publications)
  • Xeno De Vriendt (8 publications)

The most common venues for publication in Bultinck's work are:

  • The Journal of Chemical Physics (6 publications)
  • The Cambridge Structural Database (6 publications)
  • arXiv (Cornell University) (4 publications)
  • Journal of Chemical Theory and Computation (4 publications)
  • Physical Chemistry Chemical Physics (2 publications)

Best Publications

  • Critical analysis and extension of the Hirshfeld atoms in molecules

    Patrick Bultinck;Christian Van Alsenoy;Paul W. Ayers;Ramon Carbó-Dorca

  • Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons

    Patrick Bultinck;Robert Ponec;Sofie Van Damme

  • A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

    Peter A. Limacher;Paul W. Ayers;Paul A. Johnson;Stijn De Baerdemacker

  • A confidence level algorithm for the determination of absolute configuration using vibrational circular dichroism or Raman optical activity.

    Elke Debie;Ewoud De Gussem;Ewoud De Gussem;Rina K. Dukor;Wouter Herrebout

  • Electron delocalization and aromaticity in linear polyacenes: Atoms in molecules multicenter delocalization index

    Patrick Bultinck;Michel Rafat;Robert Ponec;Bart Van Gheluwe

  • Critical thoughts on computing atom condensed Fukui functions.

    Patrick Bultinck;Stijn Fias;Christian Van Alsenoy;Paul W. Ayers

  • Computational Medicinal Chemistry for Drug Discovery

    Wilfried Langenaeker;Hans De Winter;Patrick Bultinck;Jan Tollenaere

  • The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations

    Patrick Bultinck;W Langenaeker;P Lahorte;F De Proft

  • Critical analysis of the local aromaticity concept in polyaromatic hydrocarbons.

    Patrick Bultinck

  • Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes.

    Farnaz Heidar-Zadeh;Farnaz Heidar-Zadeh;Paul Woodson Ayers;Toon Verstraelen;Ivan Vinogradov

  • Uniqueness and basis set dependence of iterative Hirshfeld charges

    Patrick Bultinck;Paul W. Ayers;Stijn Fias;Koen Tiels

  • The Electronegativity Equalization Method II: Applicability of Different Atomic Charge Schemes

    Patrick Bultinck;W Langenaeker;P Lahorte;F De Proft

  • Efficient description of strongly correlated electrons with mean-field cost

    Katharina Boguslawski;Paweł Tecmer;Paul W. Ayers;Patrick Bultinck

  • Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges

    Sofie Van Damme;Patrick Bultinck;Stijn Fias

  • Analyzing Toxicity Through Electrophilicity

    D. R. Roy;U. Sarkar;P. K. Chattaraj;A. Mitra

  • Negative Fukui functions: New insights based on electronegativity equalization

    Patrick Bultinck;Ramon Carbó-Dorca;Wilfried Langenaeker

  • Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects

    Danny E. P. Vanpoucke;Patrick Bultinck;Stefaan Cottenier;Veronique Van Speybroeck

  • Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds

    Ferran Feixas;Jelle Vandenbussche;Patrick Bultinck;Eduard Matito

  • Molecular Quantum Similarity: Theory and Applications

    Patrick Bultinck;Xavier Gironés;Ramon Carbó‐Dorcaz

  • Six questions on topology in theoretical chemistry

    Paul L. Ayers;Russell J. Boyd;Patrick Bultinck;Michel Caffarel

Frequent Co-Authors

Paul W. Ayers
Paul W. Ayers McMaster University
Ramon Carbó-Dorca
Ramon Carbó-Dorca University of Girona
Wouter A. Herrebout
Wouter A. Herrebout University of Antwerp
Isabel Van Driessche
Isabel Van Driessche Ghent University
Paul Geerlings
Paul Geerlings Vrije Universiteit Brussel
Pratim K. Chattaraj
Pratim K. Chattaraj Birla Institute of Technology, Mesra
Michel Waroquier
Michel Waroquier Ghent University
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
David L. Cooper
David L. Cooper University of Liverpool

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