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Pregled bibliografske jedinice broj: 559447

Časopis

Autori: Randić, Milan; Plavšić, Dejan; Vukičević, Damir
Naslov: Pi-Electron Currents in Fully Aromatic Benzenoids
( Pi-Electron Currents in Fully Aromatic Benzenoids )
Izvornik: Journal of the indian chemical society (0019-4522) 88 (2011), 1; 13-23
Vrsta rada: članak
Ključne riječi: pi-electron currents; Kekule structures
( 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.
Projekt / tema: 177-0000000-0884, 037-0000000-2779, 098-0982929-2917
Izvorni jezik: eng
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Matematika,Kemija
URL cjelovitog teksta:
Google Scholar: Pi-Electron Currents in Fully Aromatic Benzenoids
Upisao u CROSBI: vukicevi@pmfst.hr (vukicevi@pmfst.hr), 28. Stu. 2011. u 00:16 sati



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