Researcher
Xavier Deraet
- Keywords:Chemistry (incl. biochemistry), General and logistic services
- Disciplines:Quantum chemistry
Affiliations
- General Chemistry (Research group)
Member
From13 Aug 2015 → Today - Administrative Information Processing (Administrative office)
Member
From1 Sep 2023 → Today - Chemistry (Department)
Member
From15 Mar 2022 → 14 Jul 2023 - Chemistry (Department)
Member
From1 Oct 2021 → 31 Jan 2022 - Chemistry (Department)
Member
From1 Oct 2021 → 31 Jan 2022 - Chemistry (Department)
Member
From8 Apr 2019 → 30 Sep 2021 - Chemistry (Department)
Member
From1 Oct 2017 → 20 Oct 2022 - Faculty of Sciences and Bioengineering Sciences (Faculty)
Member
From24 Sep 2017 → 18 Feb 2022 - Faculty of Sciences and Bioengineering Sciences (Faculty)
Member
From13 Aug 2015 → 6 Jul 2017
Publications
1 - 10 of 11
- Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation(2023)
Authors: Xavier Deraet, Jan Turek, Mercedes Alonso Giner, Frederik Tielens, Bert M. Weckhuysen, Monica Calatayud, Frank De Proft
Pages: 1-13 - Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt12M (M=Ir, Ru or Rh) for NO Dissociation(2022)
Authors: Jelle Vekeman, Qing Wang, Xavier Deraet, Dominique Bazin, Frank De Proft, Hazar Guesmi, Frederik Tielens
Pages: 1-9 - Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis(2022)
Authors: Dominique Bazin, Jelle Vekeman, Qing Wang, Xavier Deraet, Frank De Proft, Hazar Guesmi, Frederik Tielens
Pages: 237-244 - Reactivity of carbonyl groups in homogeneous and heterogeneous media(2022)
Authors: Xavier Deraet, Frank De Proft, Frederik Tielens, Mercedes Alonso Giner
Number of pages: 300 - Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation(2021)
Authors: Xavier Deraet, Jan Turek, Mercedes Alonso Giner, Frederik Tielens, Stefaan Cottenier, Paul W. Ayers, Bert M. Weckhuysen, Frank De Proft
Pages: 6050-6063 - Synthesis and reactivity of novel spirocarbocycles as scaffolds for new nucleoside analogues(2020)
Authors: Jonas Verhoeven, Xavier Deraet, Vineet Pande, Mercedes Alonso Giner, Frank De Proft, Weimei Sun, Lieven Meerpoel, Jan-Willem Thuring, Guido Verniest
Pages: 14989-15005 - Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory(2020)
Authors: Xavier Deraet, Lauren Voets, Ruben Van Lommel, Guido Verniest, Frank De Proft, Wim De Borggraeve, Mercedes Alonso Giner
Pages: 7803-7816 - Organogermanium(II) Hydrides as a Source of Highly Soluble LiH(2020)
Authors: Jakub Tremmel, Jiří Tydlitát, Libor Dostál, Aleš Růžička, Xavier Deraet, Jan Turek, Roman Jambor
Pages: 6070-6075 - Performance of Electronic Structure Methods for the Description of Hückel–Möbius Interconversions in Extended π-Systems(2019)
Authors: Tatiana Marianne Woller, Ambar Banerjee, Nitai Sylvetsky, Golokesh Santra, Xavier Deraet, Frank De Proft, Jan M. L. Martin, Mercedes Alonso Giner
Pages: 2380-2397 - A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones(2019)
Authors: Mercedes Alonso Giner, Tatiana Marianne Woller, Xavier Deraet, Frank De Proft, Ruben Van Lommel, Guido Verniest
Pages: 788-806