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- 2018
- Information-theoretic approaches to atoms-in-molecules : Hirshfeld family of partitioning schemes
- Method for making 2-electron response reduced density matrices approximately N-representable
- 2017
- Fuzzy atoms in molecules from Bregman divergences
- Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
- Hirshfeld partitioning from non-extensive entropies
- Exploring the substrate selectivity of human sEH and M. tuberculosis EHB using QM/MM
- Going beyond the three-state ensemble model : the electronic chemical potential and Fukui function for the general case
- Strategies for extending geminal-based wavefunctions : open shells and beyond
- 2016
- The local response of global descriptors
- Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series