Pregled bibliografske jedinice broj: 829081
The conjugated-circuit model: application to benzenoid hydrocarbons
The conjugated-circuit model: application to benzenoid hydrocarbons // Journal of molecular structure. Theochem, 198 (1989), 1-2; 223-237 doi:10.1016/0022-2860(89)80041-9 (međunarodna recenzija, članak, znanstveni)
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Naslov
The conjugated-circuit model: application to benzenoid hydrocarbons
Autori
Nikolić, Sonja ; Randić, Milan ; Klein, Douglas J. ; Plavšić, Dejan ; Trinajstić, Nenad
Izvornik
Journal of molecular structure. Theochem (0166-1280) 198
(1989), 1-2;
223-237
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
conjugated-circuit model ; resonance energies (RE)
Sažetak
The conjugated-circuit model is presented and its application to benzenoid hydrocarbons is described. The set of conjugated circuits is truncated at those around three hexagons and these are used for computing the resonance energies (RE) of benzenoids. The concept of benzenoidicity defined in terms of conjugated circuits is also presented. Clar's concept of fully benzenoid hexagonal structures is extended to fully naphthalenoid structures and is further generalized to the concept of fully arenoid hexagonal structures. A comparison is given between the conjugated-circuit model and several other theoretical models for computing the REs of benzenoid hydrocarbons. ☆ Reported in part at the IUPAC International Symposium on the Electronic Structure and Properties of Molecules and Crystals, (Cavtat, Croatia, August 29–September 3, 1988).
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
