Research output per year
Research output per year
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Dive into the research topics where Xavier Deraet is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study
Deraet, X., Çilesiz, U., Aviyente, V. & De Proft, F., Nov 2024, In: Journal of Molecular Modeling. 30, 11, 22 p., 380.Research output: Contribution to journal › Article › peer-review
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The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory
Deraet, X., Desmedt, E., Van Lommel, R. & De Proft, F., 1 Sep 2023, In: Physical Chemistry Chemical Physics. 25, 42, p. 28581-28594 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)23 Downloads (Pure) -
Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation
Deraet, X., Turek, J., Alonso Giner, M., Tielens, F., Weckhuysen, B. M., Calatayud, M. & De Proft, F., 14 Mar 2023, In: ChemPhysChem. 24, 6, p. 1-13 13 p., e202200785.Research output: Contribution to journal › Article › peer-review
Open AccessFile6 Citations (Scopus)62 Downloads (Pure) -
Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis
Bazin, D., Vekeman, J., Wang, Q., Deraet, X., De Proft, F., Guesmi, H. & Tielens, F., 11 Apr 2022, In: Comptes Rendus Chimie. 25, S3, p. 237-244 8 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)16 Downloads (Pure) -
Reactivity of carbonyl groups in homogeneous and heterogeneous media: A density functional theory study
Deraet, X., 2022, Brussel: ASP / VUBPRESS. 300 p.Research output: Thesis › PhD Thesis
Open AccessFile54 Downloads (Pure)
Prizes
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CHEMCYS2018 Prize for the best poster presentation in the session on Physical and Theoretical Chemistry
Deraet, Xavier (Recipient), 23 Feb 2018
Prize: Prize (including medals and awards)
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International Conference on Theoretical Aspects of Catalysis
Xavier Deraet (Participant)
29 Jun 2020 → 21 Jul 2020Activity: Participating in or organising an event › Participation in conference
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International Conference on Advanced Materials Modelling
Xavier Deraet (Participant)
1 Jul 2019 → 3 Jul 2019Activity: Participating in or organising an event › Participation in conference
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14th European Congress on Catalysis
Xavier Deraet (Participant)
18 Aug 2019 → 23 Aug 2019Activity: Participating in or organising an event › Participation in conference
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VASP training school
Xavier Deraet (Participant)
26 Jun 2019 → 29 Jun 2019Activity: Participating in or organising an event › Participation in workshop, seminar
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European Summerschool in Quantum Chemistry
Xavier Deraet (Participant)
8 Sep 2019 → 21 Sep 2019Activity: Participating in or organising an event › Participation in workshop, seminar
Thesis
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Reactivity of Carbonyl Groups in Homogeneous and Heterogeneous Media: A Density Functional Theory Study
Author: Deraet, X., De Proft, F., Tielens, F., Alonso Giner, M. & Turek, J., 18 Feb 2022Supervisor: De Proft, F. (Promotor), Tielens, F. (Promotor), Alonso Giner, M. (Promotor) & Turek, J. (Co-promotor)
Student thesis: Doctoral Thesis
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Stereoselective reductions of 2-and 3-substituted cyclobutanones : a comparison between experiment and DFT
Author: Ballet, S. & Deraet, X., 2017Supervisor: Ballet, S. (Jury)
Student thesis: Master's Thesis
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Stereoselective reductions of 2- and 3-substituted cyclobutanones: a comparison between experiment and DFT
Author: Alonso Giner, M., De Proft, F., Verniest, G. & Deraet, X., Jul 2017Student thesis: Master's Thesis
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Unravelling the conformational preference of the dienophile in the Diels-Alder reaction
Author: Vermeersch, L., de Smet, J., De Vleeschouwer, F. & Deraet, X., 2025Student thesis: Master's Thesis