Nick Sablon
Vrije Universiteit Brussel(BE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Photochemistry and Electron Transfer Studies, Machine Learning in Materials Science
Most-Cited Works
- → Calculation of negative electron affinity and aqueous anion hardness using Kohn–Sham HOMO and LUMO energies(2006)119 cited
- → The Linear Response Kernel: Inductive and Resonance Effects Quantified(2010)90 cited
- → The linear response kernel of conceptual DFT as a measure of aromaticity(2012)66 cited
- → Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions(2007)63 cited
- → Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor(2008)62 cited
- → The linear response kernel of conceptual DFT as a measure of electron delocalisation(2010)53 cited
- → Computing Second-Order Functional Derivatives with Respect to the External Potential(2010)47 cited
- → On the position of the potential wall in DFT temporary anion calculations(2007)40 cited
- → Molecular Orbital-Averaged Fukui Function for the Reactivity Description of Alkaline Earth Metal Oxide Clusters(2009)24 cited
- → Relativistic effects on the Fukui function(2010)20 cited