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Coding and Ordering Benzenoids and Their Kekulé Structures


Lučić, Bono; Miličević, Ante; Nikolić, Sonja; Trinajstić, Nenad
Coding and Ordering Benzenoids and Their Kekulé Structures // Carbon Bonding and Structures - Advances in Physics and Chemistry / Mihai, V., Putz (ur.).
Dordrecht, Heidelberg, London, New York: Springer, 2011. str. 205-225


Naslov
Coding and Ordering Benzenoids and Their Kekulé Structures

Autori
Lučić, Bono ; Miličević, Ante ; Nikolić, Sonja ; Trinajstić, Nenad

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, pregledni

Knjiga
Carbon Bonding and Structures - Advances in Physics and Chemistry

Urednik/ci
Mihai, V., Putz

Izdavač
Springer

Grad
Dordrecht, Heidelberg, London, New York

Godina
2011

Raspon stranica
205-225

ISBN
978-94-007-1732-9

Ključne riječi
Benzenoids ; Kekulé structures

Sažetak
The coding and ordering of benzenoids and their Kekule´ structures is discussed. The Wiswesser coding and the binary boundary coding systems are delineated and illustrated. The Wiswesser codes are also used to order cata- and peri-condensed benzenoids. The concept of numeric Kekule´ structure is used for coding and ordering Kekule´ structures of cata-condensed benzenoids. In the case of peri-condensed benzenoids the numeric code of Kekule´ structures is not discriminative enough since there are Kekule´ structures with identical numeric codes. In that case an additional code is needed, and here we suggest the perimeter code.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-1770495-2919 - Razvoj metoda za modeliranje svojstava bioaktivnih molekula i proteina (Bono Lučić, )

Ustanove
Institut "Ruđer Bošković", Zagreb