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.

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 JournalArticleAcademicpeer-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 JournalArticleAcademicpeer-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 proceedingChapterAcademicpeer-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 ThesisPhD Thesis - Research VU, graduation VUAcademic

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 JournalArticleAcademicpeer-review

Alkynes
Azides
Cycloaddition
Computational methods
Reaction kinetics

Activities 1997 2011

  • 82 Lecture / Presentation
  • 2 Editorial work

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 / PresentationAcademic

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 workEditorial workAcademic

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 workEditorial workAcademic

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 / PresentationAcademic

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 / PresentationAcademic

Prizes

Best poster award

Benjamin Helmich-Paris (Recipient), 2012

PrizeAcademic

Dirac Medal

L. Visscher (Recipient), 2006

PrizeAcademic

Journal of Chemical Physics Editor's choice

Benjamin Helmich-Paris (Recipient), 2013

PrizeAcademic

Journal of Chemical Physics Editor's choice

K.J.H. Giesbertz (Recipient), O. Gritsenko (Recipient) & E.J. Baerends (Recipient), 2012

PrizeAcademic

Journal of Chemical Physics Editor's choice

K.J.H. Giesbertz (Recipient) & Robert van Leeuwen (Recipient), 2013

PrizeAcademic

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