F. Matthias Bickelhaupt

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

Natural Sciences, Chemistry, Physics +17

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

Célia Fonseca Guerra, Jan‐Willem Handgraaf, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2003 · 1.2K citations

Natural Sciences, Chemistry, Physics +16

The activation strain model of chemical reactivity

Willem‐Jan van Zeist, F. Matthias Bickelhaupt · Organic & Biomolecular Chemistry · 2010 · 710 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts

F. Matthias Bickelhaupt · Journal of Computational Chemistry · 1999 · 599 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Hydrogen Bonding in DNA Base Pairs:  Reconciliation of Theory and Experiment

Célia Fonseca Guerra, F. Matthias Bickelhaupt, J. G. Snijders et al. · Journal of the American Chemical Society · 2000 · 448 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17