Computing the Merrifield-Simmons indices of benzenoid chains and double benzenoid chains.

Autor: Oz, Mert Sinan, Cangul, Ismail Naci
Zdroj: Journal of Applied Mathematics & Computing; Oct2022, Vol. 68 Issue 5, p3263-3293, 31p
Abstrakt: In this paper, we introduce the Merrifield-Simmons vector defined at a path of corresponding double hexagonal (benzenoid) chain. By utilizing this vector, we present reduction formulae to compute the Merrifield-Simmons index σ (H) of the corresponding double hexagonal (benzenoid) chain H . As the result, we compute σ (H) of H by means of a product of some of obtained six matrices and a vector with entries in N . Subsequently, we introduce the simple Merrifield-Simmons vector defined at an edge of given graph G. By using simple Merrifield-Simmons vector we present reduction formulae to compute the σ (G) where G represents any hexagonal (benzenoid) chain. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index