1. 2020
  2. Diferulate: a highly effective electron donor

    Vacek, J., Zatloukalová, M., Vrba, J., De Vleeschouwer, F., De Proft, F., Obluková, M., Sokolova, R. & Pospísil, J., 14 Feb 2020, In : Journal of Electroanalytical Chemistry.

    Research output: Contribution to journalArticle

  3. 2019
  4. Preparation of 4 '-Spirocyclobutyl Nucleoside Analogues as Novel and Versatile Adenosine Scaffolds

    Verhoeven, J., De Vleeschouwer, F., Kong, H., Van Hecke, K., Pande, V., Sun, W., Vos, A., Wu, T., Meerpoel, L., Thuring, J. W. & Verniest, G., 4 Nov 2019, In : Chemistry - a European Journal. 25, 67, p. 15419-15423

    Research output: Contribution to journalArticle

  5. Acceleration of Inverse Molecular Design by Using Predictive Techniques

    Teunissen, J., De Proft, F. & De Vleeschouwer, F., 24 Jun 2019, In : J. Chem. Inf. Modeling. 59, 6, p. 2587-2599 13 p.

    Research output: Contribution to journalArticle

  6. 2018
  7. Metal-Free Cyclization of ortho-Nitroaryl Ynamides and Ynamines towards Spiropseudoindoxyls

    Marien, N., Reddy, B. N., De Vleeschouwer, F., Goderis, S., Van Hecke, K. & Verniest, G., 14 May 2018, In : Angewandte Chemie International Edition. 57, 20, p. 5660-5664 5 p.

    Research output: Contribution to journalArticle

  8. Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysis.

    De Vleeschouwer, F., Denayer, M., Pintér, B., Geerlings, P. & De Proft, F., 15 Apr 2018, In : J. Comp. Chem. 39, 10, p. 557-572 16 p.

    Research output: Contribution to journalArticle

  9. 2017
  10. Exploiting the σ-Hole Concept: An Infrared and Raman-Based Characterization of the S⋅⋅⋅O Chalcogen Bond between 2,2,4,4-Tetrafluoro-1,3-dithiethane and Dimethyl Ether

    Geboes, Y., De Vleeschouwer, F., De Proft, F. & A. Herrebout, W., 6 Dec 2017, In : Chem. Eur. J.. 23, 68, p. 17384-17392 9 p.

    Research output: Contribution to journalArticle

  11. Heterolytic Splitting of Molecular Hydrogen by Frustrated and Classical Lewis Pairs: A Unified Reactivity Concept

    Pintér, B., Skara, G., De Vleeschouwer, F., Geerlings, P. & De Proft, F., 22 Nov 2017, In : Scientific Reports - Nature. 7, 1, 15 p., 6024.

    Research output: Contribution to journalArticle

  12. Heterolytic splitting of molecular hydrogen by frustrated and classical Lewis pairs: A unified reactivity concept

    Skara, G., De Vleeschouwer, F., Geerlings, P., De Proft, F. & Pinter, B., 20 Aug 2017, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, Vol. 254. p. 191

    Research output: Chapter in Book/Report/Conference proceedingMeeting abstract (Book)

  13. Tuning the HOMO-LUMO Energy Gap of Small Diamondoids using Inverse Molecular Design

    Teunissen, J. L., De Proft, F. & De Vleeschouwer, F., 14 Mar 2017, In : J.Chem.Theory Comp. 13, 3, p. 1351-1365 15 p.

    Research output: Contribution to journalArticle

  14. A DFT approach to discriminate the antagonist and partial agonist activity of ligands binding to the NMDA receptor

    Haslak, Z. P., Bozkurt, E., Dutagaci, B., De Proft, F., Aviyente, V. & De Vleeschouwer, F., 2017, In : Molecular Physics. 116, 3, p. 323-337

    Research output: Contribution to journalArticle

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