Onderzoeker
Xavier Deraet
- Trefwoorden:Scheikunde, Algemene en logistieke diensten
- Disciplines:Kwantumchemie
Affiliaties
- Algemene Chemie (Onderzoeksgroep)
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Vanaf13 aug 2015 → Heden - Administratieve Informatieverwerking (Administratieve eenheid)
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Vanaf1 sep 2023 → Heden - Scheikunde (Departement)
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Vanaf15 mrt 2022 → 14 jul 2023 - Scheikunde (Departement)
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Vanaf1 okt 2021 → 31 jan 2022 - Scheikunde (Departement)
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Vanaf1 okt 2021 → 31 jan 2022 - Scheikunde (Departement)
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Vanaf8 apr 2019 → 30 sep 2021 - Scheikunde (Departement)
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Vanaf1 okt 2017 → 20 okt 2022 - Faculteit van de Wetenschappen (Faculteit)
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Vanaf24 sep 2017 → 18 feb 2022 - Faculteit van de Wetenschappen (Faculteit)
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Vanaf13 aug 2015 → 6 jul 2017
Publicaties
1 - 10 van 11
- Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation(2023)
Auteurs: Xavier Deraet, Jan Turek, Mercedes Alonso Giner, Frederik Tielens, Bert M. Weckhuysen, Monica Calatayud, Frank De Proft
Pagina's: 1-13 - Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt12M (M=Ir, Ru or Rh) for NO Dissociation(2022)
Auteurs: Jelle Vekeman, Qing Wang, Xavier Deraet, Dominique Bazin, Frank De Proft, Hazar Guesmi, Frederik Tielens
Pagina's: 1-9 - Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis(2022)
Auteurs: Dominique Bazin, Jelle Vekeman, Qing Wang, Xavier Deraet, Frank De Proft, Hazar Guesmi, Frederik Tielens
Pagina's: 237-244 - Reactivity of carbonyl groups in homogeneous and heterogeneous media(2022)
Auteurs: Xavier Deraet, Frank De Proft, Frederik Tielens, Mercedes Alonso Giner
Aantal pagina's: 300 - Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation(2021)
Auteurs: Xavier Deraet, Jan Turek, Mercedes Alonso Giner, Frederik Tielens, Stefaan Cottenier, Paul W. Ayers, Bert M. Weckhuysen, Frank De Proft
Pagina's: 6050-6063 - Synthesis and reactivity of novel spirocarbocycles as scaffolds for new nucleoside analogues(2020)
Auteurs: Jonas Verhoeven, Xavier Deraet, Vineet Pande, Mercedes Alonso Giner, Frank De Proft, Weimei Sun, Lieven Meerpoel, Jan-Willem Thuring, Guido Verniest
Pagina's: 14989-15005 - Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory(2020)
Auteurs: Xavier Deraet, Lauren Voets, Ruben Van Lommel, Guido Verniest, Frank De Proft, Wim De Borggraeve, Mercedes Alonso Giner
Pagina's: 7803-7816 - Organogermanium(II) Hydrides as a Source of Highly Soluble LiH(2020)
Auteurs: Jakub Tremmel, Jiří Tydlitát, Libor Dostál, Aleš Růžička, Xavier Deraet, Jan Turek, Roman Jambor
Pagina's: 6070-6075 - Performance of Electronic Structure Methods for the Description of Hückel–Möbius Interconversions in Extended π-Systems(2019)
Auteurs: Tatiana Marianne Woller, Ambar Banerjee, Nitai Sylvetsky, Golokesh Santra, Xavier Deraet, Frank De Proft, Jan M. L. Martin, Mercedes Alonso Giner
Pagina's: 2380-2397 - A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones(2019)
Auteurs: Mercedes Alonso Giner, Tatiana Marianne Woller, Xavier Deraet, Frank De Proft, Ruben Van Lommel, Guido Verniest
Pagina's: 788-806