Graph-Theoretical Matrices in Chemistry  book cover
1st Edition

Graph-Theoretical Matrices in Chemistry

ISBN 9781138894280
Published November 22, 2017 by CRC Press

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Book Description

Graph-Theoretical Matrices in Chemistry presents a systematic survey of graph-theoretical matrices and highlights their potential uses. This comprehensive volume is an updated, extended version of a former bestseller featuring a series of mathematical chemistry monographs. In this edition, nearly 200 graph-theoretical matrices are included.

This second edition is organized like the previous one—after an introduction, graph-theoretical matrices are presented in five chapters: The Adjacency Matrix and Related Matrices, Incidence Matrices, The Distance Matrix and Related Matrices, Special Matrices, and Graphical Matrices. Each of these chapters is followed by a list of references.

Among the matrices presented several are novel and some are known only to a few. The properties and potential usefulness of many of the presented graph-theoretical matrices in chemistry have yet to be investigated.

Most of the graph-theoretical matrices presented have been used as sources of molecular descriptors usually referred to as topological indices. They are particularly concerned with a special class of graphs that represents chemical structures involving molecules. Due to its multidisciplinary scope, this book will appeal to a broad audience ranging from chemistry and mathematics to pharmacology.

Table of Contents

Introduction. The Adjacency Matrix and Related Matrices. Incidence Matrices. Distance Matrix and Related Matrices. Special Matrices. Graphical Matrices. Concluding Remarks.

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Dušanka Janežic, PhD, University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies, Koper, Slovenia

Ante Milicevic, PhD, The Institute for Medical Research and Occupational Health, Zagreb, Croatia

Sonja Nikolic, PhD, The Rugjer Boškovic Institute, Zagreb, Croatia

Nenad Trinajstic, PhD, fellow of the Croatian Academy of Sciences and Arts, The Rugjer Boškovic Institute, Zagreb, Croatia