1. 2016
  2. 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 journalArticle

  3. 2015
  4. Conceptual Quantum Chemistry Analysis of bonding and noncovalent interactions in the formation of frustrated Lewis Pairs

    Skara, G., Pintér, B., Top, J., Geerlings, P., De Proft, F. & De Vleeschouwer, F., 27 Mar 2015, In : Chem. Eur. J.. 21, 14, p. 5510-5519

    Research output: Contribution to journalArticle

  5. Designing stable radicals with optimal electrophilic or nucleophilic character: thiadiazinyl as a case study

    De Vleeschouwer, F., Chankisjijev, A., Geerlings, P. & De Proft, F., 1 Jan 2015, In : Eur. J. Org. Chem.. 2015, 3, p. 506-513

    Research output: Contribution to journalArticle

  6. Relationship between the Free Radical Polymerization Rates of Methacrylates and the Chemical Properties of their Monomeric Radicals

    Cinar, S. A., De Proft, F., Avci, D., Aviyente, V. & De Vleeschouwer, F., 2015, In : Macromolecular Chemistry and Physics. 216, p. 334

    Research output: Contribution to journalArticle

  7. 2013
  8. Pushing the boundaries of Intrinsically Stable Radicals: Inverse design using the Thiadiazinyl Radical as a Template

    De Vleeschouwer, F., Chankisjijev, A., Yang, W., Geerlings, P. & De Proft, F., 1 Feb 2013, In : J Org Chem. 78, p. 3151-3158 8 p.

    Research output: Contribution to journalArticle

  9. How the Conical Intersection Seam Controls Regioselectivity in the Photocycloaddition of Ethylene and Benzene

    Serrano-Pérez, J. J., De Vleeschouwer, F., De Proft, F., Mendive-Tapia, D., Bearpark, M. J. & Robb, M. A., 1 Jan 2013, In : The Journal of Organic Chemistry. 78, p. 1874-1886 13 p.

    Research output: Contribution to journalArticle

  10. 2012
  11. Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives

    De Vleeschouwer, F., Yang, W., N. Beratan, D., Geerlings, P. & De Proft, F., 1 Nov 2012, In : PCCP. 14, p. 16002-16013 12 p.

    Research output: Contribution to journalArticle

  12. Radical electrophilicities in solvent.

    De Vleeschouwer, F., Geerlings, P. & De Proft, F., 1 Jun 2012, In : Theoretical Chemistry Accounts. 131, p. 1245 1 p.

    Research output: Contribution to journalArticle

  13. 2011
  14. Validation of DFT-based methods for predicting qualitative thermochemistry of large polyaromatics.

    Hemelsoet, K., De Vleeschouwer, F., Van Speybroeck, V., De Proft, F., Geerlings, P. & Waroquier, M., 2011, In : ChemPhysChem. 12, p. 1100 1 p.

    Research output: Contribution to journalArticle

ID: 184255