Chemical Applications Of Graph Theory
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Chemical Graph Theory
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Author : D Bonchev
language : en
Publisher: Routledge
Release Date : 2018-05-11
Chemical Graph Theory written by D Bonchev and has been published by Routledge this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-11 with Science categories.
This volume presents the fundamentals of graph theory and then goes on to discuss specific chemical applications. Chapter 1 provides a historical setting for the current upsurge of interest in chemical graph theory. Chapter 2 gives a full background of the basic ideas and mathematical formalism of graph theory and includes such chemically relevant notions as connectedness, graph matrix representations, metric properties, symmetry and operations on graphs. This is followed by a discussion on chemical nomenclature and the trends in its rationalization by using graph theory, which has important implications for the storage and retrieval of chemical information. This volume also contains a detailed discussion of the relevance of graph-theoretical polynomials; it describes methodologies for the enumeration of isomers, incorporating the classical Polya method, as well as more recent approaches.
Chemical Applications Of Topology And Graph Theory
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Author : R. Bruce King
language : en
Publisher: Elsevier Publishing Company
Release Date : 1983
Chemical Applications Of Topology And Graph Theory written by R. Bruce King and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Mathematics categories.
Chemical Applications Of Graph Theory
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Author : A. T. Balaban
language : en
Publisher:
Release Date : 1976
Chemical Applications Of Graph Theory written by A. T. Balaban and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Mathematics categories.
Chemical Graph Theory
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Author : Nenad Trinajstic
language : en
Publisher: Routledge
Release Date : 2018-05-11
Chemical Graph Theory written by Nenad Trinajstic and has been published by Routledge this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-11 with Science categories.
New Edition! Completely Revised and Updated Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.
Chemical Applications Of Topology And Graph Theory
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Author : R. B. King
language : en
Publisher:
Release Date : 1983
Chemical Applications Of Topology And Graph Theory written by R. B. King and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with categories.
An Introduction To The Chemical Applications Of Graph Theory
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Author : D. H. Rouvray
language : en
Publisher:
Release Date : 1987
An Introduction To The Chemical Applications Of Graph Theory written by D. H. Rouvray and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with categories.
We review briefly several of the current major areas of application to chemistry. The topics covered include chemical documentation, isomer enumeration, chemical bonding theory, the study of chemical reaction networks, planning synthesis routes, macromolecules and polymers, and the use of graph invariants (so-called topological indices) for the description and prediction of chemical behavior. The latter topic is treated more fully in the paper immediately following this one. Where appropriate, the contributions of mathematicians, especially graph theorists, to the development of chemical graph theory have been highlighted. A number of the problems of a graph-theoretical nature which still confront the chemist are outlined. Key references to the relevant chemical literature are given, and all the major reviews in the field are cited. Graph theorists desirous of learning more about the chemical applications of their discipline may find the present elementary introduction a convenient point from which to start. Keywords: Graph Theory, Chemistry, Topological Indices, Isomer Enumeration.
Chemical Graph Theory
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Author : Danail Bonchev
language : en
Publisher: Taylor & Francis
Release Date : 1992
Chemical Graph Theory written by Danail Bonchev and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Design categories.
Building on the background of graph theory provided in the first volume of the series, presents a detailed examination of the role of graph theory in the study of chemical kinetics, reaction mechanisms, and quantitative structure-activity relations, in a manner useful to theoretical chemists. Among the topics are heterogeneous catalytic reactions, the classification and coding of chemical reaction mechanisms, the mechanist's description of chemical processes as it relates to aromaticity, and using operator networks to interpret evolutionary interrelations between chemical entities. Annotation copyright by Book News, Inc., Portland, OR
Applications Of Graphs In Chemistry And Physics
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Author : John W. Kennedy
language : en
Publisher: North Holland
Release Date : 1988
Applications Of Graphs In Chemistry And Physics written by John W. Kennedy and has been published by North Holland this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Mathematics categories.
It has been said that modern molecular theory is founded on essentially graph-like models located in some appropriate embedding space. The idea may be extended to physical theory, and it is this that provides the raison d'etre for this collection of papers. Today there is almost no branch of chemistry, including its more recent relatives in polymer science and biology, that is not enriched by (or enriching) the mathematical theory of graphs. The impact of graph-theoretical thinking in physics has, with some notable exceptions, developed more slowly. In 1847, G.R. Kirchoff founded the theory of electrical networks as a graph-theoretical structure, and as a result also made significant contributions to the mathematics of graph theory. This tradition has continued into the newer sciences such as telecommunications, computer science and information science.
Introduction To Chemical Graph Theory
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Author : Stephan Wagner
language : en
Publisher: CRC Press
Release Date : 2018-09-05
Introduction To Chemical Graph Theory written by Stephan Wagner and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-05 with Mathematics categories.
Introduction to Chemical Graph Theory is a concise introduction to the main topics and techniques in chemical graph theory, specifically the theory of topological indices. These include distance-based, degree-based, and counting-based indices. The book covers some of the most commonly used mathematical approaches in the subject. It is also written with the knowledge that chemical graph theory has many connections to different branches of graph theory (such as extremal graph theory, spectral graph theory). The authors wrote the book in an appealing way that attracts people to chemical graph theory. In doing so, the book is an excellent playground and general reference text on the subject, especially for young mathematicians with a special interest in graph theory. Key Features: A concise introduction to topological indices of graph theory Appealing to specialists and non-specialists alike Provides many techniques from current research About the Authors: Stephan Wagner grew up in Graz (Austria), where he also received his PhD from Graz University of Technology in 2006. Shortly afterwards, he moved to South Africa, where he started his career at Stellenbosch University as a lecturer in January 2007. His research interests lie mostly in combinatorics and related areas, including connections to other scientific fields such as physics, chemistry and computer science. Hua Wang received his PhD from University of South Carolina in 2005. He held a Visiting Research Assistant Professor position at University of Florida before joining Georgia Southern University in 2008. His research interests include combinatorics and graph theory, elementary number theory, and related problems
Chemical Applications Of Graph Theory
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Author :
language : en
Publisher:
Release Date : 1992
Chemical Applications Of Graph Theory written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with categories.