Research Output per year
Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit
Density functional theory
Chemical Compounds
density functional theory
Physics & Astronomy
Molecules
Chemical Compounds
Discrete Fourier transforms
Chemical Compounds
orbitals
Physics & Astronomy
Electrons
Chemical Compounds
Potential energy surfaces
Chemical Compounds
functionals
Physics & Astronomy
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Profiles
Alexandre Alves de Castro
- Faculty of Science, Theoretical Chemistry - Visiting Fellow
Person: Academic
Narges Asadi Aghbolaghi
- Faculty of Science, Theoretical Chemistry - External PhD Candidate
Person: Academic
Nick Austin
- Faculty of Science, Theoretical Chemistry - Visiting Fellow
- AIMMS - Visiting Fellow
Person: Academic
Jelena Belic
- Faculty of Science, Theoretical Chemistry - Standard PhD Candidate
- AIMMS - Standard PhD Candidate
Person: Academic
Research Output 1978 2019
A Variational Approach to London Dispersion Interactions without Density Distortion
Kooi, D. P. & Gori-Giorgi, P., 4 Apr 2019, In : Journal of Physical Chemistry Letters. 10, 7, p. 1537-1541 5 p.Research output: Contribution to Journal › Article › Academic › peer-review
Open Access
Monomers
Atoms
monomers
interactions
Wave functions
Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl
Ramler, J., Poater, J., Hirsch, F., Ritschel, B., Fischer, I., Bickelhaupt, F. M. & Lichtenberg, C., 21 Apr 2019, In : Chemical Science. 10, 15, p. 4169-4176 8 p.Research output: Contribution to Journal › Article › Academic › peer-review
Bismuth
Carbon Monoxide
X ray analysis
Substrates
Ultraviolet spectroscopy
Cation affinities throughout the periodic table
Boughlala, Z., Fonseca Guerra, C. & Bickelhaupt, F. M., 2019, Computational Chemistry. van Eldik, R. & Puchta, R. (eds.). Academic Press Inc., p. 123-158 36 p. (Advances in Inorganic Chemistry; vol. 73).Research output: Chapter in Book / Report / Conference proceeding › Chapter › Academic › peer-review
Cations
Lewis Bases
Alkali Metals
Molecular orbitals
Hydrides
Characterization of Non-covalent Interactions in Self-assembling Systems
Petelski, A. N., 2019, 200 p.Research output: PhD Thesis › PhD Thesis - Research VU, graduation VU › Academic
Open Access
File
Chemoselectivity of Tertiary Azides in Strain-Promoted Alkyne-Azide Cycloadditions
Svatunek, D., Houszka, N., Hamlin, T. A., Bickelhaupt, F. M. & Mikula, H., 14 Jan 2019, In : Chemistry - A European Journal. 25, 3, p. 754-758 5 p.Research output: Contribution to Journal › Article › Academic › peer-review
Alkynes
Azides
Cycloaddition
Computational methods
Reaction kinetics
Activities 1997 2011
Parse and Tag Somali Pirates
M.G.J. van Erp (Speaker), V. Malaise (Speaker), W.R. van Hage (Speaker), V.P. Osinga (Speaker), J.-M. Coleto (Speaker)11 Feb 2011
Activity: Lecture / Presentation › Academic
Physical Chemistry Chemical Physics - PCCP (Journal)
L. Visscher (Member of editorial board), P. Bolhuis (Member of editorial board), F.M. Bickelhaupt (Member of editorial board)2011
Activity: Peer review and Editorial work › Editorial work › Academic
Physical Chemistry Chemical Physics - PCCP (Journal)
L. Visscher (Member of editorial board), P. Bolhuis (Member of editorial board), F.M. Bickelhaupt (Member of editorial board)2011
Activity: Peer review and Editorial work › Editorial work › Academic
Photodissiciation in Phosphine Substituted Transition Metal Carbonyls. A Time-Dependent Density Functional Study.
T.P.M. Goumans (Speaker), A.W. Ehlers (Speaker), A. Rosa (Speaker), E.J. Baerends (Speaker), K. Lammertsma (Speaker)4 Mar 2002
Activity: Lecture / Presentation › Academic
Photodissiciation in Phosphine Substituted Transition Metal Carbonyls. A Time-Dependent Density Functional Study.
T.P.M. Goumans (Speaker), A.W. Ehlers (Speaker), A. Rosa (Speaker), E.J. Baerends (Speaker), K. Lammertsma (Speaker)4 Feb 2002
Activity: Lecture / Presentation › Academic
Prizes
Journal of Chemical Physics Editor's choice
K.J.H. Giesbertz (Recipient), O. Gritsenko (Recipient) & E.J. Baerends (Recipient), 2012
Prize › Academic
Journal of Chemical Physics Editor's choice
K.J.H. Giesbertz (Recipient) & Robert van Leeuwen (Recipient), 2013
Prize › Academic
Press / Media
News item: DFT2016 Poll - Blog
M. Swart, F.M. Bickelhaupt & M. Duran
1/01/16
1 media contribution
Press/Media: Other
News Item: Popularity Poll Density Functionals 2010
M. Swart, F.M. Bickelhaupt & M. Duran
1/01/11
1 media contribution
Press/Media: Other