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Personal profile

Personal information

Research

Ancillary activities

  • Institute of Computational Chemistry and Catalysis | Girona | Scientific Advisory Board | 2014-03-12
  • Koninklijke Hollandsche Maatschappij der Wetenschappen | Haarlem | Member | 2014-03-12
  • Leiden Institute of Chemistry | Leiden | Raad van Advies | 2014-03-12
  • Royal Society of Chemistry (RSC) | Cambridge, UK | Editorial Advisory Board, Physical Chemistry Chemical Physic | 2014-03-12
  • Wacker Chemie AG | Munchen | Adviseur | 2014-03-12
  • Wiley | Hoboken, New Jersey, USA | Editorial Advisory Board, Journal of Computational Chemistry | 2014-03-12
  • Wiley-Verlag Chemie (Wiley-VCH) | Weinheim | Editorial Advisory Board, Chemistry - An Asian Journal | 2014-06-23
  • Wiley-Verlag Chemie (Wiley-VCH) | Weinheim | Editorial Advisory Board, Chemistry - An Asian Journal | 2014-06-23
  • Royal Society of Chemistry (RSC) | Cambridge | Fellow (FRSC) | 2014-11-18
  • Radboud Universiteit | Nijmegen | Extraordinary Professor | 2017-05-28
  • Netherlands Organisation for Scientific Research (NWO) | Den Haag | Member Round Table Chemistry | 2017-12-01

Ancillary activities are updated daily

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 17 Similar Profiles
Density functional theory Chemical Compounds
Chemical activation Chemical Compounds
Potential energy surfaces Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Substitution reactions Chemical Compounds
Hydrogen bonds Chemical Compounds
Molecular orbitals Chemical Compounds
Silicon Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 1990 2018

A methodology for the photocatalyzed radical trifluoromethylation of indoles: A combined experimental and computational study

Miller, S. A., van Beek, B., Hamlin, T. A., Bickelhaupt, F. M. & Leadbeater, N. E., Oct 2018, In : Journal of Fluorine Chemistry. 214, p. 94-100 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Indoles
indoles
Molecular orbitals
reaction kinetics
Photocatalysts

Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations

Ortolan, A. O., Øestrøm, I., Caramori, G. F., Parreira, R. L. T., Muñoz-Castro, A. & Bickelhaupt, F. M., 9 Jul 2018, In : Organometallics. 37, 13, p. 2167-2176 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Calixarenes
Organometallics
Discrete Fourier transforms
Anions
anions

Arylic C-X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends

Vermeeren, P., Sun, X. & Bickelhaupt, F. M., 16 Jul 2018, In : Scientific Reports. 8, p. 1-10 10 p., 10729

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Palladium
Chemical activation
Catalysts
Ligands
Molecular orbitals

Double CH Activation of a Masked Cationic Bismuth Amide

Ritschel, B., Poater, J., Dengel, H., Bickelhaupt, F. M. & Lichtenberg, C., 26 Mar 2018, In : Angewandte Chemie - International Edition. 57, 14, p. 3825-3829 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Bismuth
Amides
Chemical activation
Bismuth compounds
Organometallics

Factors Controlling the Diels–Alder Reactivity of Hetero-1,3-Butadienes

Yu, S., de Bruijn, H. M., Svatunek, D., Hamlin, T. A. & Bickelhaupt, F. M., Dec 2018, In : ChemistryOpen. 7, 12, p. 995-1004 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Atoms
Nitrogen
Chemical activation
Acrolein
Imines

Activities 1999 2011

  • 21 Lecture / Presentation
  • 2 Editorial work

Physical Chemistry Chemical Physics - PCCP (Journal)

Visscher, L. (Member of editorial board), P. Bolhuis (Member of editorial board), Bickelhaupt, F. M. (Member of editorial board)
2011

Activity: Peer review and Editorial workEditorial workAcademic

Physical Chemistry Chemical Physics - PCCP (Journal)

Visscher, L. (Member of editorial board), P. Bolhuis (Member of editorial board), Bickelhaupt, F. M. (Member of editorial board)
2011

Activity: Peer review and Editorial workEditorial workAcademic

DNA: Tackling a Biological Molecule with ADF

Bickelhaupt, F. M. (Speaker)
1 Jun 2000

Activity: Lecture / PresentationAcademic

Fragment-Oriented Design of Catalysts and the Activation-Strain Model

Bickelhaupt, F. M. (Speaker)
18 Jul 2000

Activity: Lecture / PresentationAcademic

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