What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Organic chemistry
- Molecule
Paul L. A. Popelier mostly deals with Atoms in molecules, Molecule, Atomic physics, Computational chemistry and Topology.
His Atoms in molecules research incorporates elements of Space, Crystallography, Representation and Charge density.
His Molecule research is multidisciplinary, relying on both Chemical physics, Electron density and Statistical physics.
The various areas that Paul L. A. Popelier examines in his Atomic physics study include Multipole expansion, Atom, Dimer, Molecular physics and van der Waals force.
His Computational chemistry study incorporates themes from Intermolecular force, Similarity, Ab initio, Quantum and Hydrogen bond.
The subject of his Topology research is within the realm of Topology.
His most cited work include:
- CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY (2122 citations)
- Atoms in Molecules: An Introduction (901 citations)
- Characterization of a Dihydrogen Bond on the Basis of the Electron Density (831 citations)
What are the main themes of his work throughout his whole career to date?
His scientific interests lie mostly in Molecule, Computational chemistry, Multipole expansion, Ab initio and Quantum.
His study looks at the intersection of Molecule and topics like Chemical physics with Hydrogen.
Paul L. A. Popelier works mostly in the field of Computational chemistry, limiting it down to topics relating to Quantitative structure–activity relationship and, in certain cases, Partial least squares regression and Ionic liquid.
His Multipole expansion research is multidisciplinary, incorporating elements of Force field, Molecular dynamics, Atom, Electrostatics and Atomic physics.
Paul L. A. Popelier has researched Ab initio in several fields, including Bond length, Ab initio quantum chemistry methods, Wave function, Stereochemistry and Topology.
Paul L. A. Popelier interconnects Electronic correlation, Steric effects and Topology in the investigation of issues within Quantum.
He most often published in these fields:
- Molecule (27.31%)
- Computational chemistry (24.62%)
- Multipole expansion (21.92%)
What were the highlights of his more recent work (between 2013-2021)?
- Quantum (20.38%)
- Force field (16.92%)
- Multipole expansion (21.92%)
In recent papers he was focusing on the following fields of study:
Paul L. A. Popelier focuses on Quantum, Force field, Multipole expansion, Atom and Molecule.
His study in Quantum is interdisciplinary in nature, drawing from both Chemical physics, Electronic correlation, Møller–Plesset perturbation theory, Molecular physics and Atomic physics.
His Chemical physics research is multidisciplinary, incorporating perspectives in Hydrogen, Bond order, Chemical bond, Hydrogen bond and Conformational isomerism.
His research integrates issues of Water cluster, Dimer and Atoms in molecules in his study of Atomic physics.
His studies in Atom integrate themes in fields like Topology, van der Waals force, Electron density and Electric potential energy.
His Molecule study frequently draws connections to adjacent fields such as Energy.
Between 2013 and 2021, his most popular works were:
- Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT). (83 citations)
- Six questions on topology in theoretical chemistry (71 citations)
- Quantitative structure–activity relationship for toxicity of ionic liquids to Daphnia magna: Aromaticity vs. lipophilicity (57 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Organic chemistry
- Molecule
Quantum, Electron density, Atom, Topology and Computational chemistry are his primary areas of study.
As part of the same scientific family, Paul L. A. Popelier usually focuses on Electron density, concentrating on Multipole expansion and intersecting with Crystallography, Ab initio and Electrostatics.
His Atom research integrates issues from van der Waals force, Atomic physics and Electric potential energy.
His Topology study contributes to a more complete understanding of Topology.
His study in Computational chemistry focuses on Molecular dynamics in particular.
The Chemical physics study combines topics in areas such as Single bond, Bond length, Covalent bond and Atoms in molecules.
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