Teoria da Ressonância: Concepções, Intuição e os Computadores

Resumo

This short communication discusses a concise historical and conceptual overview of resonance theory,
coming its origins from Linus Pauling’s original work to recent advances in computational chemistry,
notably the Generalized Valence Bond, Spin-Coupled Valence Bond, Density Functional Theory methods
and Natural Resonance Theory. We discuss definitions and distinctions, including those by IUPAC, and
highlight ongoing debates over resonance and electron delocalization. Emphasizing how modern quantum
chemical methods have enabled the quantitative evaluation of resonance contributions, this work illustrates
the transition from qualitative models to computational models briefly, reaffirming the role of resonance
in contemporary chemical bonding theory.
Keywords: Resonance theory; quantum chemistry; chemical bonding; natural resonance theory.