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 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.
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.
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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CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY
U. Koch;P. L. A. Popelier.
The Journal of Physical Chemistry (1995)
Atoms in molecules
A. Hinchliffe;P. L. A. Popelier;F. M. Aicken;S. E. O'Brien.
In: Specialist Periodical Report : Chemical Modelling : Applications and Theory. Royal Society of Chemistry ; 2000. p. 143-198. (2000)
Atoms in Molecules. An Introduction
Paul L. A. Popelier.
Harlow, Great Britain: Pearson Education; 2000. (2000)
Characterization of a Dihydrogen Bond on the Basis of the Electron Density
P. L. A. Popelier.
Journal of Physical Chemistry A (1998)
Chemical bonding and molecular geometry
Ronald J. Gillespie;Paul L.A. Popelier.
Chemical Bonding and Molecular Geometry : From Lewis to Electron Densities
Ronald J. Gillespie;Paul L. A. Popelier;Petr C. Ford.
MORPHY, a program for an automated “atoms in molecules” analysis
Paul L.A. Popelier.
Computer Physics Communications (1996)
On the full topology of the Laplacian of the electron density
Coordination Chemistry Reviews (2000)
Potential energy surfaces fitted by artificial neural networks.
Chris M. Handley;Paul L. A. Popelier.
Journal of Physical Chemistry A (2010)
Theoretical Definition of a Functional Group and the Molecular Orbital Paradigm
Richard Frederick William Bader;Paul Lode Albert Popelier;Todd Alan Keith.
Angewandte Chemie (1994)
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