1. 2019
  2. 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 journalArticleResearchpeer-review

  3. 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 journalArticleResearchpeer-review

  4. 2018
  5. 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 journalArticleResearchpeer-review

  6. 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 journalArticleResearchpeer-review

  7. 2017
  8. 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 journalArticleResearchpeer-review

  9. 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 journalArticleResearchpeer-review

  10. 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 journalArticleResearchpeer-review

  11. 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 journalArticleResearchpeer-review

  12. 2016
  13. Cover Picture: Molecular Property Optimizations with Boundary Conditions through the Best First Search Scheme (ChemPhysChem 10/2016)

    De Vleeschouwer, F., Geerlings, P. & De Proft, F., 2016, In : ChemPhysChem. 17, 10, p. 1391-1391 1 p.

    Research output: Contribution to journalArticleResearchpeer-review

  14. Property Optimalizations with Boundary Conditions via the Best First Search Scheme.

    De Vleeschouwer, F., Geerlings, P. & De Proft, F., 2016, In : ChemPhysChem. 17, p. 1414-1414 1 p.

    Research output: Contribution to journalArticleResearchpeer-review

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