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Computer Generation and Identification of Carcinogenic Bay Regions in Benzenoid Hydrocarbons (CROSBI ID 163561)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Knop, J.V. ; Szymansky, K. ; Jeričević, Željko ; Trinajstić, Nenad Computer Generation and Identification of Carcinogenic Bay Regions in Benzenoid Hydrocarbons // International journal of quantum chemistry, 23 (1983), 2; 713-722. doi: 10.1002/qua.560230240

Podaci o odgovornosti

Knop, J.V. ; Szymansky, K. ; Jeričević, Željko ; Trinajstić, Nenad

engleski

Computer Generation and Identification of Carcinogenic Bay Regions in Benzenoid Hydrocarbons

A computer-oriented algorithm is developed for identification and enumeration of carcinogenic bay regions in benzenoid hydrocarbons.The results are reported for geometrically planar benzenoid systems up to ten fused rings.They fully agree with those obtained in a different way by Balasubramanian et al. The advantage of the proposed method is that we can display all planar benzenoid structures and identify the carcinogenic bays in each of them.

computer enumeration ; bay regions ; benzenoid hydrocarbons

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Podaci o izdanju

23 (2)

1983.

713-722

objavljeno

0020-7608

10.1002/qua.560230240

Povezanost rada

Matematika, Kemija, Računarstvo

Poveznice
Indeksiranost