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.
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).
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.
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.
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Electrophilicity and Nucleophilicity Index for Radicals
Freija De Vleeschouwer;Veronique Van Speybroeck;Michel Waroquier;and Paul Geerlings.
Organic Letters (2007)
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)
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)
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)
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)
Calculation of ionization energies, electron affinities, electronegativities, and hardnesses using density functional methods
Frank De Proft;Paul Geerlings.
Journal of Chemical Physics (1997)
Do Diradicals Behave like Radicals
Thijs Stuyver;Bo Chen;Tao Zeng;Tao Zeng;Paul Geerlings.
Chemical Reviews (2019)
Imine hydrogenation with simple alkaline earth metal catalysts
Heiko Bauer;Mercedes Alonso;Christian Färber;Holger Elsen.
Nature Catalysis (2018)
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)
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)
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