Pregled bibliografske jedinice broj: 772470
The Conjugated-Circuits Model: On the Selection of the Parameters
The Conjugated-Circuits Model: On the Selection of the Parameters // Croatica Chemica Acta, 63 (1991), 4; 683-692 (međunarodna recenzija, kratko priopcenje, znanstveni)
CROSBI ID: 772470 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
The Conjugated-Circuits Model: On the Selection of the Parameters
Autori
Plavšić, Dejan ; Nikolić, Sonja ; Trinajstić, Nenad
Izvornik
Croatica Chemica Acta (0011-1643) 63
(1991), 4;
683-692
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, kratko priopcenje, znanstveni
Ključne riječi
resonance energies ; benzenoid hydrocarbons ; aromatic stability
Sažetak
Four sets of parameters that are used in the framework of the semi-empirical VB resonance-theoretic model named the conjugated-circuits model are compared. The basis of the comparison was statistical analysis of the linear relationship between the REs obtained by the Dewar's SCF pi-MO model and the REs obtained by the conjugated-circuits model. All four sets of parameters lead to the linear relationships with similar statistical characteristics. Since the value of the R4 parameter is rather uncertain the three- parameter model is recommended to be used.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
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
