Read e-book online Graph-Theoretical Matrices in Chemistry PDF

By Dusanka Janezic, Ante Milicevic, Sonja Nikolic, Nenad Trinajstic

ISBN-10: 1498701159

ISBN-13: 9781498701150

Graph-Theoretical Matrices in Chemistry offers a scientific survey of graph-theoretical matrices and highlights their strength makes use of. This accomplished quantity is an up-to-date, prolonged model of a former bestseller that includes a chain of mathematical chemistry monographs. during this variation, approximately 2 hundred graph-theoretical matrices are included.

This moment version is prepared just like the past one―after an advent, graph-theoretical matrices are awarded in 5 chapters: The Adjacency Matrix and similar Matrices, prevalence Matrices, the gap Matrix and similar Matrices, exact Matrices, and Graphical Matrices. each one of those chapters is through an inventory of references.

Among the matrices awarded numerous are novel and a few are identified purely to some. The houses and strength usefulness of a number of the awarded graph-theoretical matrices in chemistry have not begun to be investigated.

Most of the graph-theoretical matrices offered were used as resources of molecular descriptors frequently known as topological indices. they're really fascinated with a distinct category of graphs that represents chemical buildings concerning molecules. as a result of its multidisciplinary scope, this e-book will attract a extensive viewers starting from chemistry and arithmetic to pharmacology.

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Extra info for Graph-Theoretical Matrices in Chemistry

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Scantlebury, Non-­random polycondensation statistical theory of the substitution effect, Trans Faraday Soc. 60 (1964) 604–621. A. Graovac, I. Gutman, and N. Trinajstić, Topological approach to the chemistry of conjugated molecule, Springer, Berlin, 1977. A. E. Polansky, N. Trinajstić, and N. Tyutyulkov, Graph theory in chemistry. II. Graph-­theoretical description of heteroconjugated molecules, Z. Naturforsch. 30a (1975) 1696–1699. A. Graovac and N. Trinajstić, Graphs in chemistry, MATCH Commun.

D. Cvetković, M. Doob, and H. , Johann Ambrosius Barth Verlag, Heidelberg, 1995. M. Cvetković and I. Gutman, Note on branching, Croat. Chem. Acta 49 (1977) 115–121. D. Cvetković, I. Gutman, and N. Trinajstić, Kekulé structures and topology, Chem. Phys. Lett. 16 (1972) 614–616. D. Cvetković, I. Gutman, and N. Trinajstić, Graph theory and molecular orbitals. VII. The role of resonance structures, J. Chem. Phys. 61 (1974a) 2700–2706. M. Cvetković, I. Gutman, and N. Trinajstić, Conjugated molecules having integral spectra, Chem.

The Adjacency Matrix and Related Matrices 45 Z. Du, B. Zhou, and N. Trinajstić, Minimum sum-­connectivity indices of trees and unicyclic graphs of a given matching number, J. Math. Chem. 47 (2010) 842–855. Z. Du, B. Zhou, and N. Trinajstić, On the general sum-­connectivity index of trees, Appl. Math. Lett. 24 (2011) 402–405. J. Dugundji and I. Ugi, An algebraic model for constitutional chemistry as a basis for chemical computer programs, Topics Curr. Chem. 39 (1973) 19–64. E. Estrada, Edge adjacency relationships and a novel topological index related to molecular volume, J.

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Graph-Theoretical Matrices in Chemistry by Dusanka Janezic, Ante Milicevic, Sonja Nikolic, Nenad Trinajstic


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