Projects per year
Fingerprint
Collaborations and top research areas from the last five years
Profiles
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Lucas de Azevedo Santos, MSc
- Faculty of Science, Chemistry and Pharmaceutical Sciences - Research Associate
- Faculty of Science, Theoretical Chemistry - Research Associate
- AIMMS - Research Associate
Person: Academic
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Yuman Hordijk, BSc
- Faculty of Science, Chemistry and Pharmaceutical Sciences - PhD Candidate
- Faculty of Science, Theoretical Chemistry - PhD Candidate
- AIMMS - PhD Candidate
Person: Academic
Projects
- 9 Finished
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Development and implementation of reduced density matrix functionals for relativistic quantum chemistry.
Visscher, L. & Rodriguez Mayorga, M.
1/02/21 → 31/01/23
Project: Research
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Speerpunten van de Quantum/Nano-revolutie
Visscher, L. & Yalouz, S.
15/07/19 → 31/01/22
Project: Research
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eScience - Technology to Boost Quantum Dot Energy Conversion
Visscher, L. & van Beek, B.
15/05/18 → 31/08/22
Project: Research
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Research output
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A spectroscopic investigation of the lowest electronic states of the I2+ cation as a candidate for detecting the time variation of fundamental constants
Zhao, Y., Tian, Y., He, X., Gong, T., Sun, X., Guo, G., Qiu, X., Yuan, X., Liu, J., Deng, L. & Li, C., Jan 2024, In: Journal of Molecular Spectroscopy. 399, p. 1-8 8 p., 111873.Research output: Contribution to Journal › Article › Academic › peer-review
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Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion
de Azevedo Santos, L., van der Voort, S., Burema, S. R., Fonseca Guerra, C. & Bickelhaupt, F. M., 2 Jan 2024, In: ChemPhysChem. 25, 1, p. 1-9 9 p., e202300480.Research output: Contribution to Journal › Article › Academic › peer-review
Open Access -
Molecular properties in the linear response regime and beyond with relativistic coupled-cluster
Yuan, X., 10 Jan 2024, 280 p.Research output: PhD Thesis › PhD-Thesis - Research and graduation internal
Open AccessFile168 Downloads (Pure) -
Role of alkaline-earth metal in catalysed imine hydrogenations
De Tobel, B., Hamlin, T. A., Fonseca Guerra, C., Harder, S., De Proft, F. & Alonso, M., 15 Jan 2024, In: Polyhedron. 248, p. 1-12 12 p., 116751.Research output: Contribution to Journal › Article › Academic › peer-review
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Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy
de Azevedo Santos, L., Trujillo-González, D. E., Jiménez-Halla, J. O. C., Bickelhaupt, F. M. & Solà, M., Feb 2024, In: Chemistry - A European Journal. 30, 8, p. 1-8 8 p., e202303185.Research output: Contribution to Journal › Article › Academic › peer-review
Open Access
Courses
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Vereniging tegen de Kwakzalverij (External organisation)
Derk Kooi (Member)
3 Oct 2020Activity: Membership › Societal
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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)
2011Activity: Peer review and Editorial work › Editorial work › Academic
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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 2011Activity: Lecture / Presentation › Academic
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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)
2011Activity: Peer review and Editorial work › Editorial work › Academic
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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 2002Activity: Lecture / Presentation › Academic
Prizes
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Journal of Chemical Physics Editor's choice
Helmich-Paris, Benjamin (Recipient), 2013
Prize › Academic
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Journal of Chemical Physics Editor's choice
Giesbertz, Klaas (Recipient), Gritsenko, O. (Recipient) & Baerends, E.J. (Recipient), 2012
Prize › Academic
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Journal of Chemical Physics Editor's choice
Giesbertz, Klaas (Recipient) & van Leeuwen, Robert (Recipient), 2013
Prize › Academic
Datasets
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CCDC 728543: Experimental Crystal Structure Determination
Sulway, S. A. (Contributor), Girshfeld, R. (Contributor), Solomon, S. A. (Contributor), Muryn, C. A. (Contributor), Poater, J. (Contributor), Sola, M. (Contributor), Bickelhaupt, M. (Contributor) & Layfield, R. A. (Contributor), Unknown Publisher, 1 Sept 2009
DOI: 10.5517/ccsg3dq, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccsg3dq&sid=DataCite
Dataset
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CCDC 958095: Experimental Crystal Structure Determination
Padial, J. S. (Contributor), De Gelder, R. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, M. (Contributor) & Mecinović, J. (Contributor), Unknown Publisher, 19 May 2014
DOI: 10.5517/cc114z9g, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc114z9g&sid=DataCite
Dataset
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How the disulfide conformation determines the disulfide/thiol redox potential
Roos, G. (Contributor), Fonseca Guerra, C. (Contributor) & Bickelhaupt, M. (Contributor), Figshare, 2015
DOI: 10.6084/m9.figshare.858847.v1, https://figshare.com/articles/How_the_disulfide_conformation_determines_the_disulfide_thiol_redox_potential/858847/1
Dataset
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CCDC 874092: Experimental Crystal Structure Determination
Weiss, J. (Contributor), Theis, B. (Contributor), Metz, S. (Contributor), Burschka, C. (Contributor), Guerra, C. F. (Contributor), Bickelhaupt, M. (Contributor) & Tacke, R. (Contributor), Unknown Publisher, 1 Jul 2012
DOI: 10.5517/ccybkjb, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccybkjb&sid=DataCite
Dataset
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CCDC 728544: Experimental Crystal Structure Determination
Sulway, S. A. (Contributor), Girshfeld, R. (Contributor), Solomon, S. A. (Contributor), Muryn, C. A. (Contributor), Poater, J. (Contributor), Sola, M. (Contributor), Bickelhaupt, M. (Contributor) & Layfield, R. A. (Contributor), Unknown Publisher, 1 Sept 2009
DOI: 10.5517/ccsg3fr, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccsg3fr&sid=DataCite
Dataset
Press/Media
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News item: DFT2016 Poll - Blog
M. Swart, F.M. Bickelhaupt & M. Duran
1/01/16
1 Media contribution
Press/Media: Other
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News Item: Popularity Poll Density Functionals 2010
M. Swart, F.M. Bickelhaupt & M. Duran
1/01/11
1 Media contribution
Press/Media: Other