Chemical Applications Of Topology And Graph Theory PDF Download
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Author | : R. Bruce King |
Publisher | : Elsevier Publishing Company |
Total Pages | : 516 |
Release | : 1983 |
Genre | : Mathematics |
ISBN | : |
Download Chemical Applications of Topology and Graph Theory Book in PDF, ePub and Kindle
Author | : R. B. King |
Publisher | : |
Total Pages | : |
Release | : 1983 |
Genre | : |
ISBN | : 9780444416995 |
Download Chemical Applications of Topology and Graph Theory Book in PDF, ePub and Kindle
Author | : D Bonchev |
Publisher | : Routledge |
Total Pages | : 310 |
Release | : 2018-05-11 |
Genre | : Science |
ISBN | : 1351461591 |
Download Chemical Graph Theory Book in PDF, ePub and Kindle
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.
Author | : Robert Bruce King |
Publisher | : |
Total Pages | : 494 |
Release | : 1983 |
Genre | : |
ISBN | : 9780444416995 |
Download Chemical Applications of Topology and Graph Theory Book in PDF, ePub and Kindle
Author | : Nenad Trinajstic |
Publisher | : Routledge |
Total Pages | : 268 |
Release | : 2018-05-11 |
Genre | : Science |
ISBN | : 1351461567 |
Download Chemical Graph Theory Book in PDF, ePub and Kindle
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.
Author | : Remi Chauvin |
Publisher | : Springer |
Total Pages | : 582 |
Release | : 2016-04-19 |
Genre | : Science |
ISBN | : 3319290223 |
Download Applications of Topological Methods in Molecular Chemistry Book in PDF, ePub and Kindle
This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which include an array of academics of international distinction, describe recent applications of such topological methods to various fields and topics that provide the reader with the current state-of-the-art and give a flavour of the wide range of their potentialities.
Author | : R. Bruce King |
Publisher | : CRC Press |
Total Pages | : 250 |
Release | : 1992-12-01 |
Genre | : Science |
ISBN | : 9780849342981 |
Download Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry Book in PDF, ePub and Kindle
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.
Author | : D Bonchev |
Publisher | : CRC Press |
Total Pages | : 354 |
Release | : 1999-04-23 |
Genre | : Science |
ISBN | : 9789056991746 |
Download Chemical Topology Book in PDF, ePub and Kindle
Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs. The text explores carbon structures, establishing how the stability of fullerene species can be accounted for and also predicting which fullerenes will be most stable. It is pointed out that molecular topology, rather than molecular geometry, characterizes molecular shape and various tools for shape characterization are described. Several of the fascinating ideas that arise from regarding topology as a unifying principle in chemical bonding theory are discussed, and in particular, the novel concept of the molecular topoid is shown to have numerous uses. The topological description of polymers is examined and the reader is gently guided through the realms of branched and tangled polymers. Overall, this work outlines the fact that topology is not only a theoretical discipline but also one that has practical applications and high relevance to the whole domain of chemistry.
Author | : GEORGIA UNIV ATHENS. |
Publisher | : |
Total Pages | : 38 |
Release | : 1983 |
Genre | : |
ISBN | : |
Download Symposium on Chemical Applications of Topology and Graph Theory, April 18-22, 1983 Book in PDF, ePub and Kindle
Author | : Stephan Wagner |
Publisher | : CRC Press |
Total Pages | : 261 |
Release | : 2018-09-05 |
Genre | : Mathematics |
ISBN | : 0429833989 |
Download Introduction to Chemical Graph Theory Book in PDF, ePub and Kindle
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