What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Organic chemistry
- Molecule
His primary scientific interests are in Computational chemistry, Density functional theory, Molecule, Atomic physics and Reactivity.
The study incorporates disciplines such as Chemical physics, Electrophile, Fukui function, Aromaticity and Interaction energy in addition to Computational chemistry.
He interconnects Dipole and Chemical shift in the investigation of issues within Aromaticity.
His Density functional theory study incorporates themes from Cycloaddition, Thermodynamics, Statistical physics, Stacking and Molecular orbital.
The various areas that Paul Geerlings examines in his Molecule study include Ab initio, Electronegativity and Physical chemistry.
The concepts of his Reactivity study are interwoven with issues in Inorganic chemistry and Protonation.
His most cited work include:
- Conceptual density functional theory. (2750 citations)
- Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene (423 citations)
- Conceptual and Computational DFT in the Study of Aromaticity (422 citations)
What are the main themes of his work throughout his whole career to date?
Paul Geerlings mostly deals with Computational chemistry, Density functional theory, Molecule, Reactivity and Ab initio.
His Computational chemistry research focuses on Aromaticity and how it relates to Chemical shift.
His Density functional theory research integrates issues from Electron density, Statistical physics, Fukui function and Atomic physics.
As a part of the same scientific family, Paul Geerlings mostly works in the field of Atomic physics, focusing on Atom and, on occasion, Electron.
His study on Molecule also encompasses disciplines like
- Chemical physics, which have a strong connection to Electronic structure,
- Molecular physics that connect with fields like Dipole.
His work carried out in the field of Ab initio brings together such families of science as Basis set and Infrared spectroscopy.
He most often published in these fields:
- Computational chemistry (33.43%)
- Density functional theory (27.11%)
- Molecule (19.38%)
What were the highlights of his more recent work (between 2009-2021)?
- Density functional theory (27.11%)
- Computational chemistry (33.43%)
- Chemical physics (10.53%)
In recent papers he was focusing on the following fields of study:
Paul Geerlings focuses on Density functional theory, Computational chemistry, Chemical physics, Molecule and Aromaticity.
His biological study spans a wide range of topics, including Kernel, Fukui function and Aqueous solution.
Paul Geerlings studied Computational chemistry and Nucleophile that intersect with Aziridine.
His Chemical physics research is multidisciplinary, relying on both Delocalized electron, Ring, Electronic structure, Atomic physics and Molecular orbital.
His biological study spans a wide range of topics, including Statistical physics and Work.
His research integrates issues of Topology and Molecular switch in his study of Aromaticity.
Between 2009 and 2021, his most popular works were:
- The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory (98 citations)
- Conceptual DFT: chemistry from the linear response function. (84 citations)
- Understanding the Fundamental Role of π/π, σ/σ, and σ/π Dispersion Interactions in Shaping Carbon-Based Materials (74 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Organic chemistry
- Molecule
His main research concerns Computational chemistry, Density functional theory, Molecule, Aromaticity and Chemical physics.
His Computational chemistry study combines topics in areas such as Non-covalent interactions, Effective nuclear charge and Graphene.
His work deals with themes such as Kernel, Wave function, Valence, Reactivity and Aqueous solution, which intersect with Density functional theory.
His Molecule research is multidisciplinary, incorporating perspectives in Work, Statistical physics, Metal and Fukui function.
The various areas that Paul Geerlings examines in his Aromaticity study include Conformational isomerism, Topology, Molecular switch and Germanium.
His Chemical physics research includes elements of Delocalized electron, Diradical, Atoms in molecules, Electronic structure and London dispersion force.
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.
