A possible way to quantify the \textit{philicity} using molecular quantum similarity and chemical reactivity indices

DOI10.1007/s10910-023-01482-8zbMath1530.81155MaRDI QIDQ6113160

Alejandro Morales-Bayuelo

Publication date: 8 August 2023

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

zbMATH Keywords

molecular quantum similarityFukui functionsdensity funtional theoryelectrophilicity indexlocal quantum similarityphilicity

Mathematics Subject Classification ID

Dimensional analysis and similarity applied to problems in fluid mechanics (76M55) Molecular physics (81V55)

Cites Work

• Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study
• A mathematical discussion on density and shape functions, vector semispaces and related questions
• Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)

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