Intramolecular π–π Stacking Interactions in 2-Substituted N,N-Dibenzylaziridinium Ions and Their Regioselectivity in Nucleophilic Ring Opening Reactions

Catak, S., D'hooghe, M., De Kimpe, N., Waroquier, M., Van Speybroeck, V.
The Journal of Organic Chemistry , 75 (3) , 885-896 , 2010

A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols

Dedeoglu, B., Catak, S., Houk, K.N., Aviyente, V.
ChemCatChem , 2 (9) , 1122-1129 , 2010

Systematic Study of Halide-Induced Ring Opening of 2-Substituted Aziridinium Salts and Theoretical Rationalization of the Reaction Pathways

D'hooghe, M., Catak, S., Stankovic, S., Waroquier, M., Kim, Y., Ha, H-J., Van Speybroeck, V., De Kimpe, N.
European Journal of Organic Chemistry , 2010 (25) , 4920-4931 , 2010

Kinetic and Mechanistic Study on the p-Quinodimethane Formation in the Sulfinyl Precursor Route for the Polymerization of Poly(p-phenylene vinylene) (PPV)

Hermosilla, L., Catak, S., Van Speybroeck, V., Waroquier, M., Vandenbergh, J., Motmans, F., Adriaensens, P., Lutsen, L., Cleij, T., Vanderzande, D.
Macromolecules , 43 (18) , 7424-7433 , 2010

Opposite Regiospecific Ring Opening of 2-(Cyanomethyl)aziridines by Hydrogen Bromide and Benzyl Bromide: Experimental Study and Theoretical Rationalization

Catak, S., D'hooghe, M., Verstraelen, T., Hemelsoet, K., Van Nieuwenhove, A., Ha, H-J., Waroquier, M., De Kimpe, N., Van Speybroeck, V.
The Journal of Organic Chemistry , 75 (13) , 4530-4541 , 2010

Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians

Ghysels, A., Van Speybroeck, V., Pauwels, E., Catak, S., Brooks, B.R., Van Neck, D., Waroquier, M.
Journal of Computational Chemistry , 31 (5) , 994-1007 , 2010