Chemical trees minimizing energy and Hosoya index

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Chemical Trees Minimizing Energy and Hosoya Index

Abstract. The energy of a molecular graph is a popular parameter that is defined as the sum of the absolute values of a graph’s eigenvalues. It is well known that the energy is related to the matching polynomial and thus also to the Hosoya index via a certain Coulson integral. Trees minimizing the energy under various additional conditions have been determined in the past, e.g., trees with a gi...

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ar X iv : 0 80 4 . 05 16 v 1 [ m at h . C O ] 3 A pr 2 00 8 CHEMICAL TREES MINIMIZING ENERGY AND HOSOYA INDEX

Abstract. The energy of a molecular graph is a popular parameter that is defined as the sum of the absolute values of a graph’s eigenvalues. It is well known that the energy is related to the matching polynomial and thus also to the Hosoya index via a certain Coulson integral. Trees minimizing the energy under various additional conditions have been determined in the past, e.g., trees with a gi...

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We characterize the trees T with n vertices whose Hosoya index (total number of matchings) is Z(T ) > 16fn−5 resp. the trees whose Merrifield-Simmons index (total number of independent subsets) is σ(T ) < 18fn−5 + 21fn−6, where fk is the kth Fibonacci number. It turns out that all the trees satisfying the inequality are tripodes (trees with exactly three leaves) and the path in both cases. Furt...

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ژورنال

عنوان ژورنال: Journal of Mathematical Chemistry

سال: 2008

ISSN: 0259-9791,1572-8897

DOI: 10.1007/s10910-008-9456-6