Matthias Bickelhaupt

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Wiley | Hoboken New Jersey USA | Editorial Advisory Board, J. Comput. Chem. | 2014-03-12 - present
Koninklijke Hollandsche Maatschappij der Wetenschappen | Haarlem | Lid | 2014-03-12 - present
Wiley-Verlag Chemie (Wiley-VCH) | Weinheim | Editorial Advisory Board Chemistry - An Asian Journal | 2014-06-23 - present
Royal Society of Chemistry (RSC) | Cambridge | Fellow (FRSC) | 2014-11-18 - present
Radboud Universiteit | Nijmegen | Bijzonder Hoogleraar | 2017-05-28 - present
Chemistry Europe | Weinheim | Chemistry Europe Fellow | 2020-02-28 - present
PASQUAL | Palaiseau | Adviseur | 2022-04-22 - present
Universiteit van Johannesburg | Johannesburg | Distinguished Visiting Professor | 2022-10-01 - 2027-10-01
Wiley-Verlag Chemie (Wiley-VCH) | Weinheim | Adviseur | 2023-01-01 - 9999-01-01
Koninklijke Nederlandse Chemische Vereniging (KNCV) | Den Haag | Bestuurder | 2024-06-13 - present

Ancillary activities are updated daily

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

SDG 6 Clean Water and Sanitation
SDG 7 Affordable and Clean Energy

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446 Article
11 Chapter
9 Design
4 Book/Film/Article/Exhibition review
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Probing Attractive OH−π Interactions and Repulsive n−π Interactions in a Phenol Molecular Balance
Jian, J., White, P. B., Tinnemans, P., Bickelhaupt, F. M., Poater, J. & Mecinović, J., 13 Mar 2026, In: Chemistry - An Asian Journal. 21, 5, p. 1-13 13 p., e70652.
Research output: Contribution to Journal › Article › Academic › peer-review

Open Access
Radical Stability Paradox: Substituent Effects versus Heats of Formation
Rodrigues Silva, D., Vermeeren, P., van der Schuur, J. M. & Bickelhaupt, F. M., 16 Feb 2026, In: Chemistry - A European Journal. 32, 7, 9 p., e03600.
Research output: Contribution to Journal › Article › Academic › peer-review

Open Access
The Nature of Nonclassical Chalcogeno-Carbonyl Ligands
Sansores-Paredes, M. L. G., van Dongen, M. P., Nieuwland, C., Vermeeren, P., Bickelhaupt, F. M. & Fonseca Guerra, C., 19 Jan 2026, In: Inorganic Chemistry. 65, 2, p. 1551-1560 10 p.
Research output: Contribution to Journal › Article › Academic › peer-review
Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals
Mitchell, E. C., Azevedo Santos, L., Vermeeren, P., Lahm, M. E., Fonseca Guerra, C., Schaefer, H. F. & Bickelhaupt, F. M., 15 Nov 2025, In: Journal of Computational Chemistry. 46, 30, p. 1-15 15 p., e70265.
Research output: Contribution to Journal › Article › Academic › peer-review

Open Access
Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis
Krishna, A., Besalú-Sala, P., Bickelhaupt, F. M., Li, G. & Zuilhof, H., 6 Nov 2025, In: Chemistry - A European Journal. 31, 62, p. 1-10 10 p., e02673.
Research output: Contribution to Journal › Article › Academic › peer-review

Open Access

Advanced Computational Chemistry
Bickelhaupt, M.
1/09/25 → 31/08/26
Course
Advanced Molecular Orbital Theory
Bickelhaupt, M.
1/09/25 → 31/08/26
Course
Computational (Pharmaco)Chemistry
Fonseca Guerra, C.
1/09/25 → 31/08/26
Course
Molecular Computational Chemistry
Bickelhaupt, M.
1/09/25 → 31/08/26
Course
Molecular Modelling
Fonseca Guerra, C.
1/09/25 → 31/08/26
Course

Physical Chemistry Chemical Physics - PCCP (Journal)
Visscher, L. (Member of editorial board), Bolhuis, P. (Member of editorial board) & Bickelhaupt, F. M. (Member of editorial board)
2011
Activity: Peer review and Editorial work › Editorial work › Academic
Physical Chemistry Chemical Physics - PCCP (Journal)
Visscher, L. (Member of editorial board), Bolhuis, P. (Member of editorial board) & Bickelhaupt, F. M. (Member of editorial board)
2011
Activity: Peer review and Editorial work › Editorial work › Academic
The Activation Strain Model : Understanding and Directing Chemical Reactivity
Bickelhaupt, F. M. (Speaker)
24 Jan 2000
Activity: Lecture / Presentation › Academic
Hydrogen Bonding in DNA : Tackling a Biological Molecule with ADF
Bickelhaupt, F. M. (Speaker)
6 Oct 2000
Activity: Lecture / Presentation › Academic
DNA: Tackling a Biological Molecule with ADF
Bickelhaupt, F. M. (Speaker)
1 Jun 2000
Activity: Lecture / Presentation › Academic

News item: DFT2016 Poll - Blog
Swart, M., Bickelhaupt, F. M. & Duran, M.
1/01/16
1 Media contribution
Press/Media: Other
News Item: Popularity Poll Density Functionals 2010
Swart, M., Bickelhaupt, F. M. & Duran, M.
1/01/11
1 Media contribution
Press/Media: Other

CCDC 2144632: Experimental Crystal Structure Determination
Bickelhaupt, F. M. (Contributor), Poater, J. (Contributor), Jian, J. (Contributor), Hammink, R. (Contributor), Tinnemans, P. (Contributor), Mecinović, J. (Contributor) & McKenzie, C. J. (Contributor), The Cambridge Structural Database, 1 Jan 2022
DOI: 10.5517/ccdc.csd.cc29znpn, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc29znpn&sid=DataCite
Dataset / Software: Dataset
CCDC 873533: Experimental Crystal Structure Determination
Weiss, J. (Contributor), Theis, B. (Contributor), Metz, S. (Contributor), Burschka, C. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, F. M. (Contributor) & Tacke, R. (Contributor), Unknown, 1 Jul 2012
DOI: 10.5517/ccy9zhp, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccy9zhp&sid=DataCite
Dataset / Software: Dataset
CCDC 873539: Experimental Crystal Structure Determination
Weiss, J. (Contributor), Theis, B. (Contributor), Metz, S. (Contributor), Burschka, C. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, F. M. (Contributor) & Tacke, R. (Contributor), Unknown, 1 Jul 2012
DOI: 10.5517/ccy9zpw, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccy9zpw&sid=DataCite
Dataset / Software: Dataset
CCDC 873541: Experimental Crystal Structure Determination
Weiss, J. (Contributor), Theis, B. (Contributor), Metz, S. (Contributor), Burschka, C. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, F. M. (Contributor) & Tacke, R. (Contributor), Unknown, 1 Jul 2012
DOI: 10.5517/ccy9zry, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccy9zry&sid=DataCite
Dataset / Software: Dataset
CCDC 873543: Experimental Crystal Structure Determination
Weiss, J. (Contributor), Theis, B. (Contributor), Metz, S. (Contributor), Burschka, C. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, F. M. (Contributor) & Tacke, R. (Contributor), Unknown, 1 Jul 2012
DOI: 10.5517/ccy9zt0, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccy9zt0&sid=DataCite
Dataset / Software: Dataset

prof. dr. Matthias Bickelhaupt

Personal profile

Personal information

Research

Ancillary activities

Expertise related to UN Sustainable Development Goals

Fingerprint

Collaborations and top research areas from the last five years

Dive into details

Probing Attractive OH−π Interactions and Repulsive n−π Interactions in a Phenol Molecular Balance

Radical Stability Paradox: Substituent Effects versus Heats of Formation

The Nature of Nonclassical Chalcogeno-Carbonyl Ligands

Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals

Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis

Advanced Computational Chemistry

Advanced Molecular Orbital Theory

Computational (Pharmaco)Chemistry

Molecular Computational Chemistry

Molecular Modelling

Physical Chemistry Chemical Physics - PCCP (Journal)

Physical Chemistry Chemical Physics - PCCP (Journal)

The Activation Strain Model : Understanding and Directing Chemical Reactivity

Hydrogen Bonding in DNA : Tackling a Biological Molecule with ADF

DNA: Tackling a Biological Molecule with ADF

News item: DFT2016 Poll - Blog

News Item: Popularity Poll Density Functionals 2010

CCDC 2144632: Experimental Crystal Structure Determination

CCDC 873533: Experimental Crystal Structure Determination

CCDC 873539: Experimental Crystal Structure Determination

CCDC 873541: Experimental Crystal Structure Determination

CCDC 873543: Experimental Crystal Structure Determination

prof. dr. Matthias Bickelhaupt

Personal profile

Personal information

Research

Ancillary activities

Expertise related to UN Sustainable Development Goals

Fingerprint

Collaborations and top research areas from the last five years

Research output

Courses

Activities

Press/Media

Datasets