Fukui function Journal Article 6 Research Support, Non-U.S. Gov't 2 chemical reactivity 2 density functional theory 2 general‐purpose reactivity indicator 2 radical addition reactions 2 mehr ... Comparative Study 1 Mn‐PNP complex 1 bond detectors 1 charge sensitivity analysis 1 clusters 1 conceptual DFT 1 conceptual density functional theory 1 dinitrile coupling 1 electronic-structure 1 genetic algorithm 1 hydrogen bond 1 microkinetic modeling 1 molecular dynamics simulations 1 polarizable force-fields 1 polarization matrix 1 potential energy surface exploration 1 quantum tunneling 1 radical CH functionalization 1 radical chemistry 1 reactivity 1 reactivity criteria 1 softness/hardness 1 weniger ...