Pregled bibliografske jedinice broj: 549344
π-Electron Currents in Larger Fully Aromatic Benzenoids
π-Electron Currents in Larger Fully Aromatic Benzenoids // International journal of quantum chemistry, 112 (2012), 12; 2456-2462 doi:10.1002/qua.23266 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 549344 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
π-Electron Currents in Larger Fully Aromatic Benzenoids
Autori
Randić, Milan ; Vukičević, Damir ; Novič, Marjana ; Plavšić, Dejan
Izvornik
International journal of quantum chemistry (0020-7608) 112
(2012), 12;
2456-2462
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
π-electron currents; Conjugated circuits; Fully aromatic benzenoids; Aromatic sextet
Sažetak
Recently we have reported on calculation of π-electron ring currents in several smaller fully benzenoid hydrocarbons having up to eight fused benzene rings and five Clar π-aromatic sextets. In contrast to early HMO ring current calculations and more recent ab initio calculations of π-electron density our current calculations are based on a graph theoretical model in which contributions to ring currents comes from currents associated with individual conjugated circuits. In this contribution we consider several larger fully benzenoid hydrocarbons having from 9-13 fused rings and from six or seven π-aromatic sextets.
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Kemija
POVEZANOST RADA
Projekti:
098-0982929-2917 - Spektroskopija NMR i modeliranje bioaktivnih molekula (Plavšić, Dejan, MZOS ) ( CroRIS)
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split
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::
- CA Search (Chemical Abstracts)
