Algebraic Kekule structures and bond orders in benzenoids (CROSBI ID 514536)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Sedlar, Jelena ; Anđelić, Ivana ; Vukičević, Damir ; Grovac, Ante ; Gutman, Ivan
engleski
Algebraic Kekule structures and bond orders in benzenoids
Recently, a new interpretation of the Kekulé structures (KS) in benzenoid systems was proposed. A new quantity, Algebraic Kekulé Structure (AKS), that counts how many  electrons for a given KS belong to each hexagon has been defined [1]. In this way a possibility to characterize hexagons numerically was offered for the first time. By knowing the AKS for all Kekulé structures gives us a chance to define a new, AKS bond order [2]. This new order is compared with the classical Pauling bond order and experimentally measured bond lengths in a series of benzenoid systems. Preliminary results show that both bond orders are approximately of the same quality.
Kekule structures; algabraic structures; geometrical structures; Randić numbers
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
Podaci o prilogu
67-x.
2005.
objavljeno
Podaci o matičnoj publikaciji
Book of Abstracts MATH/CHEM/COMP 2005
Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko
Zagreb: Institut Ruđer Bošković
Podaci o skupu
MATH/CHEM/COMP 2005- The 20th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Scineces
poster
20.06.2005-25.06.2005
Dubrovnik, Hrvatska