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  • Fukui Functions and the Dual Descriptor
    Chemical reactivity can be analyzed using Fukui Functions and the Dual Descriptor ADF provides the tools to perform this analysis The local chemical reactivity can be described per atom via a condensed Fukui Function Subsequently, the local softness can be determined as well
  • How to calculate Fukui indices – Dr. Joaquin Barrosos Blog
    Fukui indices are, in short, reactivity indices; they give us information about which atoms in a molecule have a larger tendency to either loose or accept an electron, which we chemist interpret as which are more prone to undergo a nucleophilic or an electrophilic attack, respectively





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