Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study

DOI10.1007/S10910-013-0182-3MaRDI QIDQ364651zbMATH OpenOpenAlexFDO

Authors Alejandro Morales-Bayuelo, Ricardo Vivas-Reyes

Publication date 9 September 2013

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

Full work available at URL https://doi.org/10.1007/s10910-013-0182-3

zbMATH Keywords

quantum similaritymolecular polarizabilityTGSAHückel method

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

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• scientific article; zbMATH DE number 3140172 (Why is no real title available?)
• scientific article; zbMATH DE number 1835269 (Why is no real title available?)
• A mathematical discussion on density and shape functions, vector semispaces and related questions
• Polarization of two identical atoms in an electric field
• Primary electromagnetic field in the sea induced by a moving line of electric dipoles
• Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)

Cited in

(6)

• Correlation between Fourier series expansion and Hückel orbital theory
• Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)
• Graph derivative indices interpretation from the quantum mechanics perspective
• Quantifying the distortion by spin-orbit and spin-spin coupling in molecular clusters using molecular quantum similarity
• Molecular quantum similarity studies and molecular properties of the Tungsten intermediates \([\hbox{W}_6 \hbox{I}_{14}]^{2-}\) clusters
• A possible way to quantify the \textit{philicity} using molecular quantum similarity and chemical reactivity indices

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