Chemical Graph Theory
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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 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
Chemical Graph Theory
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Author : D Bonchev
language : en
Publisher: Taylor & Francis
Release Date : 2018-05-11
Chemical Graph Theory written by D 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 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 Graph Theory
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Author : D Bonchev
language : en
Publisher: CRC Press
Release Date : 1991-01-01
Chemical Graph Theory written by D Bonchev and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-01-01 with Science categories.
Initiates an ongoing series intended to consider a wide range of topics related to the mathematics of chemistry. Presents the fundamentals of graph theory and specific chemical applications of its. The topics include historical background, basic ideas and mathematical formalism, graph theory's influence in the rationalization of chemical nomenclature, graph-theoretical polynomials, and the interplay with molecular orbital theory in terms of graph spectral theory and topological resonance. Suitable for advanced undergraduates, graduates, and professionals. Acidic paper. Book club price, $52. Annotation copyrighted by Book News, Inc., Portland, OR
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 Graph Theory
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Author : D Bonchev
language : en
Publisher: CRC Press
Release Date : 1991-01-01
Chemical Graph Theory written by D Bonchev and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-01-01 with Science categories.
Chemical Graph Theory
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Author : Nenad Trinajstić
language : en
Publisher:
Release Date : 1983
Chemical Graph Theory written by Nenad Trinajstić and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Chemistry categories.
Computational Chemical Graph Theory
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Author : D. H. Rouvray
language : en
Publisher:
Release Date : 1990
Computational Chemical 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 1990 with Mathematics categories.
The outcome of an American Chemical Society Conference Symposium held in Los Angeles, Sept. 1988. Chemical graph theory is a branch of mathematical chemistry that has concerned itself with the mathematical description and characterization of molecular species, notational schemes and the enumeration
Molecular Orbital Calculations Using Chemical Graph Theory
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Author : Jerry R. Dias
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Orbital Calculations Using Chemical Graph Theory written by Jerry R. Dias and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for this book. The audience this book is directed toward are senior undergraduate and beginning graduate students as well as practicing bench chemists who have a desire to develop conceptual tools for understanding chemical phenomena. Although, ab initio and more advanced semi-empirical MO methods are regarded as being more reliable than HMO in an absolute sense, there is good evidence that HMO provides reliable relative answers particularly when comparing related molecular species. Thus, HMO can be used to rationalize electronic structure in 1t-systems, aromaticity, and the shape use HMO to gain insight of simple molecular orbitals. Experimentalists still into subtle electronic interactions for interpretation of UV and photoelectron spectra. Herein, it will be shown that one can use graph theory to streamline their HMO computational efforts and to arrive at answers quickly without the aid of a group theory or a computer program of which the experimentalist has no understanding. The merging of mathematical graph theory with chemical theory is the formalization of what most chemists do in a more or less intuitive mode. Chemists currently use graphical images to embody chemical information in compact form which can be transformed into algebraical sets. Chemical graph theory provides simple descriptive interpretations of complicated quantum mechanical calculations and is, thereby, in-itself-by-itself an important discipline of study.
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.