D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 58 Citations 10,322 348 World Ranking 7323 National Ranking 97

Overview

What is he best known for?

The fields of study Frank De Proft is best known for:

  • Molecule
  • Ion
  • Electron

Frank De Proft incorporates Computational chemistry and Fukui function in his studies. In his research, Frank De Proft undertakes multidisciplinary study on Fukui function and Computational chemistry. Organic chemistry and Physical chemistry are two areas of study in which Frank De Proft engages in interdisciplinary research. Frank De Proft performs integrative study on Physical chemistry and Molecule. Frank De Proft undertakes multidisciplinary studies into Density functional theory and Atomic orbital in his work. Frank De Proft integrates Atomic orbital with Density functional theory in his study. Frank De Proft integrates many fields, such as Quantum mechanics and Statistical physics, in his works. He performs integrative study on Statistical physics and Quantum mechanics. Frank De Proft performs integrative Catalysis and Electrophile research in his work.

His most cited work include:

  • Electrophilicity and Nucleophilicity Index for Radicals (331 citations)
  • Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density (214 citations)
  • Understanding the Woodward–Hoffmann Rules by Using Changes in Electron Density (202 citations)

What are the main themes of his work throughout his whole career to date

In his works, Frank De Proft performs multidisciplinary study on Organic chemistry and Medicinal chemistry. Borrowing concepts from Density functional theory, Frank De Proft weaves in ideas under Computational chemistry. He brings together Catalysis and Electrophile to produce work in his papers. While working on this project, he studies both Quantum mechanics and Atomic physics. He combines Atomic physics and Quantum mechanics in his research. He performs integrative study on Stereochemistry and Molecule. His study brings together the fields of Alternative medicine and Pathology. Alternative medicine connects with themes related to Reactivity (psychology) in his study. His Pathology research extends to the thematically linked field of Reactivity (psychology).

Frank De Proft most often published in these fields:

  • Organic chemistry (76.61%)
  • Computational chemistry (68.15%)
  • Molecule (47.58%)

What were the highlights of his more recent work (between 2019-2022)?

  • Computational chemistry (88.24%)
  • Molecule (76.47%)
  • Organic chemistry (76.47%)

In recent works Frank De Proft was focusing on the following fields of study:

His study deals with a combination of Computational chemistry and Molecular dynamics. He brings together Molecular dynamics and Computational chemistry to produce work in his papers. His multidisciplinary approach integrates Organic chemistry and Medicinal chemistry in his work. Frank De Proft performs integrative study on Density functional theory and Molecular orbital in his works. In his articles, he combines various disciplines, including Molecular orbital and Density functional theory. Frank De Proft conducts interdisciplinary study in the fields of Quantum mechanics and Theoretical physics through his research. Frank De Proft combines Theoretical physics and Statistical physics in his research. Frank De Proft combines Statistical physics and Quantum mechanics in his research. He undertakes multidisciplinary studies into Catalysis and Nucleophile in his work.

Between 2019 and 2022, his most popular works were:

  • Conceptual density functional theory: status, prospects, issues (177 citations)
  • How Do Local Reactivity Descriptors Shape the Potential Energy Surface Associated with Chemical Reactions? The Valence Bond Delocalization Perspective (29 citations)
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (24 citations)

In his most recent research, the most cited works focused on:

  • Molecule
  • Quantum mechanics
  • Quantum chemistry

Frank De Proft integrates many fields, such as Computational chemistry and Molecular dynamics, in his works. Frank De Proft connects Molecular dynamics with Computational chemistry in his research. His Organic chemistry study frequently links to other fields, such as Potential energy surface. Potential energy surface and Organic chemistry are commonly linked in his work. He connects Molecule with Chemical physics in his study. Frank De Proft integrates many fields, such as Chemical physics and Molecule, in his works. Borrowing concepts from Fukui function, Frank De Proft weaves in ideas under Density functional theory. Frank De Proft integrates many fields in his works, including Fukui function and Density functional theory. His Field (mathematics) study frequently draws connections to adjacent fields such as Pure mathematics.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Electrophilicity and Nucleophilicity Index for Radicals

Freija De Vleeschouwer;Veronique Van Speybroeck;Michel Waroquier;and Paul Geerlings.
Organic Letters (2007)

420 Citations

On the performance of density functional methods for describing atomic populations, dipole moments and infrared intensities

Frank De Proft;Jan M.L. Martin;Paul Geerlings.
Chemical Physics Letters (1996)

253 Citations

Understanding the Woodward-Hoffmann rules by using changes in electron density.

Paul W. Ayers;Christophe Morell;Frank De Proft;Paul Geerlings.
Chemistry: A European Journal (2007)

239 Citations

Computation of the hardness and the problem of negative electron affinities in density functional theory.

David J Tozer;Frank De Proft.
Journal of Physical Chemistry A (2005)

210 Citations

Calculation of molecular electrostatic potentials and Fukui functions using density functional methods

Frank De Proft;Jan M.L. Martin;Paul Geerlings.
Chemical Physics Letters (1996)

208 Citations

Calculation of ionization energies, electron affinities, electronegativities, and hardnesses using density functional methods

Frank De Proft;Paul Geerlings.
Journal of Chemical Physics (1997)

195 Citations

Do Diradicals Behave like Radicals

Thijs Stuyver;Bo Chen;Tao Zeng;Tao Zeng;Paul Geerlings.
Chemical Reviews (2019)

179 Citations

Imine hydrogenation with simple alkaline earth metal catalysts

Heiko Bauer;Mercedes Alonso;Christian Färber;Holger Elsen.
Nature Catalysis (2018)

157 Citations

The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

Paul Geerlings;Paul W. Ayers;Alejandro Toro-Labbé;Pratim K. Chattaraj.
Accounts of Chemical Research (2012)

157 Citations

Monomeric Organoantimony(I) and Organobismuth(I) Compounds Stabilized by an NCN Chelating Ligand: Syntheses and Structures

Petr Šimon;Frank de Proft;Roman Jambor;Aleš Růžička.
Angewandte Chemie (2010)

149 Citations

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