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izvor podataka: crosbi

Covalent isoresonance (CROSBI ID 86774)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Živković, Tomislav ; Klein, D.J. ; Schmalz, T.G. Covalent isoresonance // Polycyclic aromatic compounds, 13 (1999), 4; 457-471-x

Podaci o odgovornosti

Živković, Tomislav ; Klein, D.J. ; Schmalz, T.G.

engleski

Covalent isoresonance

Two molecular species are defined to be isoresonant if each have like numbers of the same (type of) bonds and there is an isomorphism between superpositions of pairs of Kekule structures giving equivalent interaction patterns (as appear in Hamiltonian matrices). Thus a close physico-chemical correspondence follows, as predicted by a variety of semiempirical quantum-chemical models, and thence presumably for corresponding molecules. Notably simple structural criteria sufficient for isoresonance are found.

covalent isoresonance; Kekule structures; semiempirical quantum theory; isodesmic

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Podaci o izdanju

13 (4)

1999.

457-471-x

objavljeno

1040-6638

Povezanost rada

Kemija

Indeksiranost