Pregled bibliografske jedinice broj: 559447
Pi-Electron Currents in Fully Aromatic Benzenoids
Pi-Electron Currents in Fully Aromatic Benzenoids // Journal of the indian chemical society, 88 (2011), 1; 13-23 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 559447 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Pi-Electron Currents in Fully Aromatic Benzenoids
Autori
Randić, Milan ; Plavšić, Dejan ; Vukičević, Damir
Izvornik
Journal of the indian chemical society (0019-4522) 88
(2011), 1;
13-23
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
pi-electron currents; Kekule structures
Sažetak
In view of different patterns of pi-electron density currents reported by ab initio calculations for cata and pericondensed compounds, we consider pi-electron currents of fully benzenoid cata-condensed tetrabenzoanthracene and peri-condensed dibenzopyrene in order to discern the pattern of ring currents in fully benzenoid hydrocarbons, rings of which have either pi- sextets or are „empty“ in the terminology of Clar. Our graph theoretical calculations of pi- electron currents is based on calculations of contributions from conjugated circuits of individual Kekulé valence structures of these molecules.
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Kemija
POVEZANOST RADA
Projekti:
037-0000000-2779 - Diskretna matematika i primjene (Svrtan, Dragutin, MZOS ) ( CroRIS)
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:
Prirodoslovno-matematički fakultet, Matematički odjel, Zagreb,
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
