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- 2017
- Fuzzy atoms in molecules from Bregman divergences
- Hirshfeld partitioning from non-extensive entropies
- Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
- Going beyond the three-state ensemble model : the electronic chemical potential and Fukui function for the general case
- Exploring the substrate selectivity of human sEH and M. tuberculosis EHB using QM/MM
- Strategies for extending geminal-based wavefunctions : open shells and beyond
- 2016
- Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
- The local response of global descriptors
- When is the Fukui function not normalized? : the danger of inconsistent energy interpolation models in density functional theory
- Minimal basis iterative stockholder : atoms in molecules for force-field development