Tim Fievez

On the origin of the steric effect.

P. Geerlings, F. Bickelhaupt, F. Bickelhaupt, 2012, Physical chemistry chemical physics : PCCP.

Regioselectivity in Electrophilic Aromatic Substitution: Insights from Interaction Energy Decomposition Potentials

P. Geerlings, F. Proft, F. Bickelhaupt, 2011 .

Charge Density and Chemical Reactions: A Unified View from Conceptual DFT

Libero J. Bartolotti, Paul W. Ayers, Paul Geerlings, 2011 .

Using DFT in search for support effects during methanol oxidation on supported molybdenum oxides.

Paul Geerlings, Frank De Proft, B. Weckhuysen, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Conceptual chemistry approach towards the support effect in supported vanadium oxides: valence bond calculations on the ionicity of vanadium catalysts

B. Weckhuysen, P. Geerlings, R. Havenith, 2011 .

A Theoretical Study of Methanol Oxidation Catalyzed by Isolated Vanadia Clusters Supported on the (101) Surface of Anatase

Alexis T. Bell, A. Bell, V. Shapovalov, 2012 .

Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor.

P. Ayers, P. Geerlings, F. de Proft, 2008, Journal of chemical theory and computation.