Analysis in silico of chemical reactivity employing the local hyper-softness in some classic aromatic compounds, boron aromatic clusters and all-metal aromatic clusters

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 43(2022), 1 vom: 05. Jan., Seite 29-42
Auteur principal: Martínez-Araya, Jorge I (Auteur)
Autres auteurs: Islas, Rafael
Format: Article en ligne
Langue:English
Publié: 2022
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article all-metal clusters aromaticity boron clusters conceptual density functional theory cyclic electron delocalization dual descriptor local hyper-softness local peripheral reactivity local reactivity molecular electrostatic potential