Pregled bibliografske jedinice broj: 468418
Computer Enumeration and Generation of Benzenoid Hydrocarbons and Identification of Bay Regions
Computer Enumeration and Generation of Benzenoid Hydrocarbons and Identification of Bay Regions // Journal of Computational Chemistry, 4 (1983), 1; 23-32 doi:10.1002/jcc.540040105 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 468418 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Computer Enumeration and Generation of Benzenoid Hydrocarbons and Identification of Bay Regions
Autori
Knop, J.V. ; Szymansky, K. ; Jeričević, Željko ; Trinajstić, Nenad
Izvornik
Journal of Computational Chemistry (0192-8651) 4
(1983), 1;
23-32
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
computer enumeration ; benzenoid hydrocarbons
Sažetak
A computer-oriented algorithm is developed for enumerating and generating all rigorously planar benzenoid hydrocarbons. An additional algorithm is also developed for identification and enumeration of carcinogenic bay regions. The results are reported for undisrupted benzenoid structures up to ten fused rings. The reported numbers of isomeric benzenoids do not agree with the results in the literature, because other authors included in their considerations some polyhexes which are not strictly planar structures (e.g., helicenes) or which represent rings of hexagons (e.g., circulenes). The reported results for enumeration of bay regions fully agree with those of Balasubramanian et al.
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Kemija, Računarstvo
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- SCI-EXP, SSCI i/ili A&HCI
