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Pregled bibliografske jedinice broj: 549344

Časopis

Autori: Randić, Milan; Vukičević, Damir; Novič, Marjana; Plavšić, Dejan
Naslov: π-Electron Currents in Larger Fully Aromatic Benzenoids
( π-Electron Currents in Larger Fully Aromatic Benzenoids )
Izvornik: International journal of quantum chemistry (0020-7608) 112 (2012), 12; 2456-2462
Vrsta rada: članak
Ključne riječi: π-electron currents; Conjugated circuits; Fully aromatic benzenoids; Aromatic sextet
( 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.
Projekt / tema: 177-0000000-0884, 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 Internet adrese: http://onlinelibrary.wiley.com/doi/10.1002/qua.23266/abstract
Broj citata:
Altmetric:
DOI: 10.1002/qua.23266
URL cjelovitog teksta:
Google Scholar: π-Electron Currents in Larger Fully Aromatic Benzenoids
Upisao u CROSBI: dplavsic@irb.hr (dplavsic@irb.hr), 22. Stu. 2011. u 00:25 sati



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