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

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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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 43(2022), 1 vom: 05. Jan., Seite 29-42
1. Verfasser: Martínez-Araya, Jorge I (VerfasserIn)
Weitere Verfasser: Islas, Rafael
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2022
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte: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
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