An approach to chemical hardness through Shannon's entropy

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Abstract

Shannon's entropy is a concept that has been present in the field of theoretical chemistry since the early 70s, its versatilityhas permitted associate this concept with the chemical reactivity theory. In this work, we present a development that relates Shannon'sentropy with chemical hardness, the equations obtained were applied to a set of 1641 molecules, based on our results, it was possible to write a relationship between Shannon's entropy and the chemical hardness.

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europepmc
last seen: 2026-05-19T01:45:01.086888+00:00
unpaywall
last seen: 2026-05-22T02:00:06.705733+00:00
License: CC-BY-4.0