Theory of non-local (pair site) reactivity from model static-density response functions

• Activation is a fundamental and well-known concept in chemistry, It may be qualitatively, defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a different site l, say. This exter

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chemical reactivity; density functional; non-local reactivity; response function; CN; cyanide ion reactivity; TRANSITION-STATE; FUKUI FUNCTION; HARDNESS; SOFTNESS; ELECTRONEGATIVITY; PARAMETERS; PRINCIPLE

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