Pregled bibliografske jedinice broj: 42073
Isoresonant benzenoids
Isoresonant benzenoids // Polycyclic aromatic compounds, 18 (2000), 13-24 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 42073 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Isoresonant benzenoids
Autori
Živlović, Tomislav ; Schmalz, T.G. ; Klein, D.J.
Izvornik
Polycyclic aromatic compounds (1040-6638) 18
(2000);
13-24
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
isoresonance; benzenoids; Hueckel model; Hubbard model
Sažetak
A test is made of the concept of isoresonance, wherein two species are so related if each have like numbers of the same (type of) bonds and there is suitable isomorphisam between supreposition of pairs of Kekule structures. The test is primary via computations using a few different semiempirical quantum-chemical models on 48 benzenoid structures with over 30 (sometime overlapping) different isoresonant pairs. Same test is made comparing other experimental data. There is observed to be a high correlation between resonance energies (or certain other properties) of isoresonant pairs - indeed more so than correspondence predicted by some other previously proposed classifications.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- Chemical Abstracts
