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Equienergetic chemical trees [PDF]
Journal of the Serbian Chemical Society, 2004 The energy E(G) of a graph G is the sum of the absolute values of the eigenvalues of G. Two graphs, G 1 and G 2, are said to be equienergetic if E(G 1) = E(G 2).We report here the results of the search for pairs of equienergetic acyclic molecular graphs (
Brankov Vladimir +2 more
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Equiseparable chemical trees [PDF]
Journal of the Serbian Chemical Society, 2003 Let n1(e|T) and n2(e|T) denote the number of vertices of a tree T, lying on the two sides of the edge e. Let T1 and T2 be two trees with equal number of vertices, let e be an edge of T1 and f an edge of T2.
BORIS FURTULA +2 more
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The inverse Wiener polarity index problem for chemical trees. [PDF]
PLoS ONE, 2018 The Wiener polarity number (which, nowadays, known as the Wiener polarity index and usually denoted by Wp) was devised by the chemist Harold Wiener, for predicting the boiling points of alkanes.
Zhibin Du, Akbar Ali
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Zeitschrift für Naturforschung A, 2002 Avariety of molecular-graph-based structure-descriptors were proposed, in particular the Wiener index W, the largest graph eigenvalue λ1, the connectivity index χ, the graph energy E and the Hosoya index Z, capable of measuring the branching of the ...
Miranca Fischermann +5 more
semanticscholar +3 more sources
Exponential second Zagreb index of chemical trees [PDF]
Transactions on Combinatorics, 2021 Cruz, Monsalve and Rada [Extremal values of vertex-degree-based topological indices of chemical trees, Appl. Math. Comput. 380 (2020) 125281] posed an open problem to find the maximum value of the exponential second Zagreb index for chemical ...
Selvaraj Balachandran, Tomas Vetrik
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Fixed-Order Chemical Trees with Given Segments and Their Maximum Multiplicative Sum Zagreb Index
MathematicsTopological indices are often used to predict the physicochemical properties of molecules. The multiplicative sum Zagreb index is one of the multiplicative versions of the Zagreb indices, which belong to the class of most-examined topological indices ...
Akbar Ali +4 more
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Eccentric connectivity index of chemical trees [PDF]
AIP Conference Proceedings, 2016 The eccentric connectivity index ξc is a distance-based molecular structure descriptor that was recently used for mathematical modeling of biological activities of diverse nature.
R. S. Haoer +4 more
semanticscholar +4 more sources
International Journal of Quantum Chemistry, 1982 AbstractA method is developed for obtaining the spectra of trees of NMR and chemical interests. The characteristic polynomials of branched trees can be obtained in terms of the characteristic polynomials of unbranched trees and branches by pruning the tree at the joints.
K. Balasubramanian
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Chemical trees enumeration algorithms
Quarterly Journal of the Belgian, French and Italian Operations Research Societies, 1999 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
R. Aringhieri, P. Hansen, F. Malucelli
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Almost All Trees and Chemical Trees Have Equiseparable Mates
Journal of Computer Chemistry, Japan, 2004 .
D. Vukičević, I. Gutman
semanticscholar +5 more sources