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Author : A. T. Balaban
Publisher :
ISBN 13 :
Total Pages : 412 pages
Book Rating : 4.3/5 (97 download)
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:
Author : Nenad Trinajstic
Publisher : CRC Press
ISBN 13 : 1351461575
Total Pages : 343 pages
Book Rating : 4.3/5 (514 download)
Download or read book Chemical Graph Theory written by Nenad Trinajstic and published by CRC Press. This book was released on 2018-05-11 with total page 343 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.
Author : D Bonchev
Publisher : Routledge
ISBN 13 : 1351461591
Total Pages : 310 pages
Book Rating : 4.3/5 (514 download)
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.
Author : R. Bruce King
Publisher : Elsevier Publishing Company
ISBN 13 :
Total Pages : 516 pages
Book Rating : 4.3/5 (91 download)
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:
Author : A. T. Balaban
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (75 download)
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 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : S.M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 426 pages
Book Rating : 4.1/5 (281 download)
Download or read book Mathematical Physics in Theoretical Chemistry written by S.M. Blinder and published by Elsevier. This book was released on 2018-11-26 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. - Brings together the most important aspects and recent advances in theoretical and computational chemistry - Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers - Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry
Author : Nenad Trinajstic
Publisher : Routledge
ISBN 13 : 1351461567
Total Pages : 268 pages
Book Rating : 4.3/5 (514 download)
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.
Author : Danail D. Bonchev
Publisher : Springer Science & Business Media
ISBN 13 : 9401112029
Total Pages : 291 pages
Book Rating : 4.4/5 (11 download)
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.
Author : D Bonchev
Publisher : Taylor & Francis
ISBN 13 : 1351461605
Total Pages : 301 pages
Book Rating : 4.3/5 (514 download)
Download or read book Chemical Graph Theory written by D Bonchev and published by Taylor & Francis. This book was released on 2018-05-11 with total page 301 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.
Author : R. B. King
Publisher :
ISBN 13 : 9780444416995
Total Pages : pages
Book Rating : 4.4/5 (169 download)
Download or read book Chemical Applications of Topology and Graph Theory written by R. B. King and published by . This book was released on 1983 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Oleg N. Temkin
Publisher : CRC Press
ISBN 13 : 1000141160
Total Pages : 300 pages
Book Rating : 4.0/5 (1 download)
Download or read book Chemical Reaction Networks written by Oleg N. Temkin and published by CRC Press. This book was released on 2020-07-24 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.
Author : Pal, Madhumangal
Publisher : IGI Global
ISBN 13 : 1522593829
Total Pages : 591 pages
Book Rating : 4.5/5 (225 download)
Download or read book Handbook of Research on Advanced Applications of Graph Theory in Modern Society written by Pal, Madhumangal and published by IGI Global. This book was released on 2019-08-30 with total page 591 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the world of mathematics and computer science, technological advancements are constantly being researched and applied to ongoing issues. Setbacks in social networking, engineering, and automation are themes that affect everyday life, and researchers have been looking for new techniques in which to solve these challenges. Graph theory is a widely studied topic that is now being applied to real-life problems. The Handbook of Research on Advanced Applications of Graph Theory in Modern Society is an essential reference source that discusses recent developments on graph theory, as well as its representation in social networks, artificial neural networks, and many complex networks. The book aims to study results that are useful in the fields of robotics and machine learning and will examine different engineering issues that are closely related to fuzzy graph theory. Featuring research on topics such as artificial neural systems and robotics, this book is ideally designed for mathematicians, research scholars, practitioners, professionals, engineers, and students seeking an innovative overview of graphic theory.
Author : Danail Bonchev
Publisher : Taylor & Francis
ISBN 13 : 9780856265150
Total Pages : 294 pages
Book Rating : 4.2/5 (651 download)
Download or read book Chemical Graph Theory written by Danail Bonchev and published by Taylor & Francis. This book was released on 1992 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : Du{uFFFD}anka Jane{uFFFD}ic
Publisher :
ISBN 13 : 9780429172236
Total Pages : pages
Book Rating : 4.1/5 (722 download)
Download or read book Graph-theoretical Matrices in Chemistry written by Du{uFFFD}anka Jane{uFFFD}ic and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ivan Gutman
Publisher : Springer Science & Business Media
ISBN 13 : 3642709826
Total Pages : 217 pages
Book Rating : 4.6/5 (427 download)
Download or read book Mathematical Concepts in Organic Chemistry written by Ivan Gutman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.
Author : D H Rouvray
Publisher : Elsevier
ISBN 13 : 0857099612
Total Pages : 400 pages
Book Rating : 4.8/5 (57 download)
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
Author : Stephan Wagner
Publisher : CRC Press
ISBN 13 : 0429833989
Total Pages : 252 pages
Book Rating : 4.4/5 (298 download)
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
