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Paul Popelier
Prof
Professor of Computational Chemistry
,
Computational and Theoretical Chemistry
https://orcid.org/0000-0001-9053-1363
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Research output
(272)
Datasets
(1)
Similar Profiles
(12)
Supervised Work
(17)
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Dive into the research topics where Paul Popelier is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Chemistry
Atom
100%
Molecule
64%
Procedure
63%
Chemical Bond
37%
Water Type
28%
Analytical Method
23%
Multipole Moment
23%
Electron Density
22%
Concentration
21%
Group
17%
Force Field
16%
Bond Length
13%
Error
13%
Structure
12%
Electrostatic Potential
12%
Base
12%
Hydrogen
10%
Hydrogen Bonding
10%
Polarization
10%
DFT-B3LYP Calculation
9%
Molecular Dynamics
8%
Simulation
8%
Phenol
8%
Correlation
8%
Peptide
7%
Expansion
7%
Electron Correlation Energy
7%
Amino Acid
7%
Atomic Property
7%
Number
7%
Liquid Water
6%
Optimization
6%
Application
6%
Wave Function
6%
Polarizability
6%
Acid
6%
Surface
5%
Gas
5%
Electron Particle
5%
Liquid
5%
Electrostatic Interaction
5%
Toxicity
5%
Carboxylic Acid
5%
Shape
5%
Conformation
5%
Energetics
5%
Physics
Atoms
34%
Topology
14%
Water
11%
Model
10%
Electron Density
9%
Field Theory (Physics)
8%
Electrostatics
8%
Machine Learning
6%
Geometry
6%
Molecular Dynamics
5%
