T Verstraelen

Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate Electrostatics.

T Verstraelen, P W Ayers, V Van Speybroeck, 2013, Journal of chemical theory and computation.

ACKS2: atom-condensed Kohn-Sham DFT approximated to second order.

T Verstraelen, P W Ayers, V Van Speybroeck, 2013, The Journal of chemical physics.

Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian Approach.

T Verstraelen, V Van Speybroeck, M Waroquier, 2008, Journal of chemical theory and computation.

Vibrational modes in partially optimized molecular systems.

T Verstraelen, V Van Speybroeck, M Waroquier, 2007, The Journal of chemical physics.