A computational study on the stability-aromaticity correlation of triply N-confused porphyrins: CMMSE-09

DOI10.1007/S10910-009-9643-0zbMath1196.92063OpenAlexW2092701413MaRDI QIDQ1959278

María Isabel Menéndez, Violeta Yeguas, Gloria Inés Cárdenas-Jirón, Ramón E. López

Publication date: 6 October 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9643-0

zbMATH Keywords

Bader analysisdensity functional computationsmeso phenyl group effectN-confused porphyrinsNICS calculations

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Uses Software

• GAUSSIAN

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