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Applied Graph Theory And Discrete Mathematics In Chemistry
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Book Synopsis Applied Graph Theory and Discrete Mathematics in Chemistry by : University of Saskatchewan. Mathematical Chemistry Research Unit
Download or read book Applied Graph Theory and Discrete Mathematics in Chemistry written by University of Saskatchewan. Mathematical Chemistry Research Unit and published by . This book was released on 1993 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Applied Graph Theory and Discrete Mathematics in Chemistry by :
Download or read book Applied Graph Theory and Discrete Mathematics in Chemistry written by and published by . This book was released on 1993 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Graph Theory by : D Bonchev
Download or read book Chemical Graph Theory written by D Bonchev and published by Routledge. This book was released on 2018-05-11 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantitative Graph Theory by : Matthias Dehmer
Download or read book Quantitative Graph Theory written by Matthias Dehmer and published by CRC Press. This book was released on 2014-10-27 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book devoted exclusively to quantitative graph theory, Quantitative Graph Theory: Mathematical Foundations and Applications presents and demonstrates existing and novel methods for analyzing graphs quantitatively. Incorporating interdisciplinary knowledge from graph theory, information theory, measurement theory, and statistical techniques, this book covers a wide range of quantitative-graph theoretical concepts and methods, including those pertaining to real and random graphs such as: Comparative approaches (graph similarity or distance) Graph measures to characterize graphs quantitatively Applications of graph measures in social network analysis and other disciplines Metrical properties of graphs and measures Mathematical properties of quantitative methods or measures in graph theory Network complexity measures and other topological indices Quantitative approaches to graphs using machine learning (e.g., clustering) Graph measures and statistics Information-theoretic methods to analyze graphs quantitatively (e.g., entropy) Through its broad coverage, Quantitative Graph Theory: Mathematical Foundations and Applications fills a gap in the contemporary literature of discrete and applied mathematics, computer science, systems biology, and related disciplines. It is intended for researchers as well as graduate and advanced undergraduate students in the fields of mathematics, computer science, mathematical chemistry, cheminformatics, physics, bioinformatics, and systems biology.
Book Synopsis Applied Graph Theory and Discrete Mathematics in Chemistry by :
Download or read book Applied Graph Theory and Discrete Mathematics in Chemistry written by and published by . This book was released on 1993 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Discrete Mathematical Chemistry by : Pierre Hansen
Download or read book Discrete Mathematical Chemistry written by Pierre Hansen and published by American Mathematical Soc.. This book was released on 2000 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Twenty-nine papers from the March 1998 workshop connect issues between chemistry, discrete mathematics, and computer science. Participants discussed theoretical problems of chemistry expressed by discrete mathematics, chemical graph algorithms, coding theory applied to chemistry, applications of discrete mathematics in the chemical industry, open problems and directions for research in discrete mathematical chemistry, and software for discrete mathematical chemistry. Specific topics include isomorphism rejection in structure generation programs, fast embeddings for planar molecular graphs, geometric symmetry and chemical equivalence, and numerical solution of the Laplace equation in chemical space. Annotation copyrighted by Book News, Inc., Portland, OR.
Book Synopsis Applications of Graphs in Chemistry and Physics by : John W. Kennedy
Download or read book Applications of Graphs in Chemistry and Physics written by John W. Kennedy and published by North Holland. This book was released on 1988 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Introduction to Chemical Graph Theory by : Stephan Wagner
Download or read book Introduction to Chemical Graph Theory written by Stephan Wagner and published by CRC Press. This book was released on 2018-09-05 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Applied graph theory and discrete mathematics in chemistry by :
Download or read book Applied graph theory and discrete mathematics in chemistry written by and published by . This book was released on 1993 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Graph Theory by : Nenad Trinajstic
Download or read book Chemical Graph Theory written by Nenad Trinajstic and published by Routledge. This book was released on 2018-05-11 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Graph Polynomials written by Yongtang Shi and published by CRC Press. This book was released on 2016-11-25 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers both theoretical and practical results for graph polynomials. Graph polynomials have been developed for measuring combinatorial graph invariants and for characterizing graphs. Various problems in pure and applied graph theory or discrete mathematics can be treated and solved efficiently by using graph polynomials. Graph polynomials have been proven useful areas such as discrete mathematics, engineering, information sciences, mathematical chemistry and related disciplines.
Book Synopsis Topology in Chemistry by : D H Rouvray
Download or read book Topology in Chemistry written by D H Rouvray and published by Elsevier. This book was released on 2002-04-01 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume addresses a number of topological themes of direct relevance to chemists. Topological concepts are now regularly applied in wide areas of chemistry including molecular engineering and design, chemical toxicology, the study of molecular shape, crystal and surface structures, chemical bonding, macromolecular species such as polymers and DNA, and environmental chemistry. Currently, the design and synthesis of new drugs and agrochemicals are of especial importance. The book's prime focus is on the role played by topological indices in the description and characterisation of molecular species. The Wiener index along with a variety of other major topological indices, are discussed with particular reference to the powerful and much used connectivity indices. In this book an international team of leading experts review their respective fields and present their findings.The considerable benefits offered by topological indices in the investigation of chemical problems in science, medicine, and industry are highlighted. The volume records proceedings of the Harry Wiener Memorial Conference on the Role of Topology in Chemistry, held at the University of Georgia in March 2001, and serves as a fitting tribute to the chemical contributions of the late Harry Wiener. Focuses on the role played by topological indices in the description and characterisation of molecular species Records the proceedings of the Harry Weiner Memorial Conference on the Role of Topology in Chemistry, held at the University of Georgia in March 2001 Along with a variety of other major topological indices, the Wiener index is discussed with particular reference to the powerful and much-used connectivity indices
Book Synopsis Chemical Applications of Topology and Graph Theory by : R. Bruce King
Download or read book Chemical Applications of Topology and Graph Theory written by R. Bruce King and published by Elsevier Publishing Company. This book was released on 1983 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Applications of Graph Theory by : A. T. Balaban
Download or read book Chemical Applications of Graph Theory written by A. T. Balaban and published by . This book was released on 1976 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Graphs and Discovery by : Siemion Fajtlowicz
Download or read book Graphs and Discovery written by Siemion Fajtlowicz and published by American Mathematical Soc.. This book was released on 2005 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this collection from the working group meeting of November 2001, contributors formulate problems, share ideas and approaches, and plan an agenda for future interactions. Their fields included theoretical and applied computer science, statistics, discrete and non-discrete mathematics, chemistry and information science, and the topics centered on
Book Synopsis Graph Theoretical Approaches to Chemical Reactivity by : Danail D. Bonchev
Download or read book Graph Theoretical Approaches to Chemical Reactivity written by Danail D. Bonchev and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future.
Book Synopsis Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry by : R. Bruce King
Download or read book Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry written by R. Bruce King and published by CRC Press. This book was released on 1992-12-01 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry is a text-reference that provides inorganic chemists with a rudimentary knowledge of topology, graph theory, and related mathematical disciplines. The book emphasizes the application of these topics to metal clusters and coordination compounds. The book's initial chapters present background information in topology, graph theory, and group theory, explaining how these topics relate to the properties of atomic orbitals and are applied to coordination polyhedra. Subsequent chapters apply these ideas to the structure and chemical bonding in diverse types of inorganic compounds, including boron cages, metal clusters, solid state materials, metal oxide derivatives, superconductors, icosahedral phases, and carbon cages (fullerenes). The book's final chapter introduces the application of topology and graph theory for studying the dynamics of rearrangements in coordination and cluster polyhedra.
