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The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
(AMER CHEMICAL SOC, 2011-02-25)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations
(ACS Publications, 2013-02-28)
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
(American Chemical Society, 2014)
Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
A numerical study of the Lieb-Thirring kinetic energy lower bound
(Taylor and Francis, 2016)