1. 2010
  2. Regioselectivity of Radical Additions to Substituted Alkenes: Insight from Conceptual Density Functional Theory

    De Vleeschouwer, F., Jaque, P., Geerlings, P., Toro-Labbé, A. & De Proft, F., 2010, In : J Org Chem. 75, p. 4964 1 p.

    Research output: Contribution to journalArticle

  3. 2009
  4. Cyclopolymerization reactions of diallyl monomers : Conceptual Density Functional Theory Study of Electronic and Steric Effects

    Ugur, I., De Vleeschouwer, F., Tüzün, N., Aviyente, V., Geerlings, P., Liu, S., Ayers, P. W. & De Proft, F., 2009, In : J.PhysChem. A. 113, p. 8704-8711 8 p.

    Research output: Contribution to journalArticle

  5. Reversibility from DFT based Reactivity Indices: Intramolecular Side Reactions in the Polymerization of Poly(vinyl chloride)."

    De Vleeschouwer, F., Toro-Labbé, A., Gutierez-Oliva, S., Van Speybroeck, V., Waroquier, M., Geerlings, P. & De Proft, F., 2009, In : J.Phys.Chem.a. 113, A, p. 7899 1 p.

    Research output: Contribution to journalArticle

  6. Spin-polarized reactivity indices from density functional theory: theory and applications

    De Proft, F., Chamorro, E., Pérez, P., Duque, M., De Vleeschouwer, F. & Geerlings, P., 2009, Chemical Modelling: Applications and Theory. Springborg, M. (ed.). Royal Society of Chemistry, Vol. 6. p. 63-111 49 p.

    Research output: Chapter in Book/Report/Conference proceedingChapterResearchpeer-review

  7. Theoretical Prediction of the Solubility of Fluorinated C60

    Van Lier, G., De Vleeschouwer, F., De Pril, P. & Geerlings, P., 2009, In : PCCP. 11, p. 5175-5175 1 p.

    Research output: Contribution to journalArticle

  8. Unexpected nucleophilic behaviour of free-radicals generated from alpha-iodoketones

    De Dobbeleer, C., Pospisil, J., De Vleeschouwer, F., De Proft, F. & Marko, I. E., 2009, In : Chemical Communications. 16, p. 2142-2144 3 p.

    Research output: Contribution to journalArticle

  9. 2008
  10. An Intrinsic Radical Stability Scale from the Perspective of Bond Dissociation Enthalpies: A companion to Radical Electrophilicities

    De Vleeschouwer, F., Van Speybroeck, V., Waroquier, M., Geerlings, P. & De Proft, F., 2008, In : J Org Chem. 73, p. 9109-9120 12 p.

    Research output: Contribution to journalArticle

  11. 2007
  12. Electrophilicity and Nucleophilicity Index for Radicals

    De Vleeschouwer, F., Van Speybroeck, V., Waroquier, M., Geerlings, P. & De Proft, F., 2007, In : Org.Lett.. 9, p. 2721 1 p.

    Research output: Contribution to journalArticle

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