1. 2020
  2. Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory

    Deraet, X., Voets, L., Van Lommel, R., Verniest, G., De Proft, F., De Borggraeve, W. & Alonso Giner, M., 19 Jun 2020, In : Journal of Organic Chemistry. 85, 12, p. 7803-7816 14 p.

    Research output: Contribution to journalArticle

  3. Organogermanium(II) Hydrides as a Source of Highly Soluble LiH

    Tremmel, J., Tydlitát, J., Dostál, L., Růžička, A., Deraet, X., Turek, J. & Jambor, R., 12 May 2020, In : Chemistry - a European Journal. 26, 27, p. 6070-6075 6 p.

    Research output: Contribution to journalArticle

  4. Performance of Electronic Structure Methods for the Description of Hückel–Möbius Interconversions in Extended π-Systems

    Woller, T. M., Banerjee, A., Sylvetsky, N., Santra, G., Deraet, X., De Proft, F., Martin, J. M. L. & Alonso Giner, M., 26 Mar 2020, In : Journal of Physical Chemistry A. 124, 12, p. 2380-2397 18 p.

    Research output: Contribution to journalArticle

  5. 2019
  6. Single-atom Catalysis on a Silica Support: A DFT study

    Deraet, X., 20 Aug 2019.

    Research output: Unpublished contribution to conferencePoster

  7. Single-atom Catalysis on a Silica Support: A Density Functional Theory study

    Deraet, X., 1 Jul 2019.

    Research output: Unpublished contribution to conferencePoster

  8. A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones

    Deraet, X., Woller, T., Van Lommel, R., De Proft, F., Verniest, G. & Alonso, M., Jun 2019, In : CHEMISTRYOPEN. 8, 6, p. 788-806

    Research output: Contribution to journalArticle

  9. 2018
  10. The aromatic sulfonation reaction with sulfur trioxide: mechanism and kinetic model

    Deraet, X., 22 May 2018.

    Research output: Unpublished contribution to conferencePoster

  11. Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model

    Deraet, X., 21 Feb 2018.

    Research output: Unpublished contribution to conferencePoster

  12. 2017
  13. The aromatic sulfonation with sulfur trioxide: mechanism and kinetic model

    Deraet, X., 2 Sep 2017.

    Research output: Unpublished contribution to conferencePoster

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