Applications Of Graphs In Chemistry And Physics
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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.
Chemical Graph Theory
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Author : Nenad Trinajstic
language : en
Publisher: CRC Press
Release Date : 2018-05-11
Chemical Graph Theory written by Nenad Trinajstic and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-11 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 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 Chemistry categories.
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.
Introduction To Quantum Graphs
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Author : Gregory Berkolaiko
language : en
Publisher: American Mathematical Soc.
Release Date : 2013
Introduction To Quantum Graphs written by Gregory Berkolaiko and has been published by American Mathematical Soc. this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Mathematics categories.
A ``quantum graph'' is a graph considered as a one-dimensional complex and equipped with a differential operator (``Hamiltonian''). Quantum graphs arise naturally as simplified models in mathematics, physics, chemistry, and engineering when one considers propagation of waves of various nature through a quasi-one-dimensional (e.g., ``meso-'' or ``nano-scale'') system that looks like a thin neighborhood of a graph. Works that currently would be classified as discussing quantum graphs have been appearing since at least the 1930s, and since then, quantum graphs techniques have been applied successfully in various areas of mathematical physics, mathematics in general and its applications. One can mention, for instance, dynamical systems theory, control theory, quantum chaos, Anderson localization, microelectronics, photonic crystals, physical chemistry, nano-sciences, superconductivity theory, etc. Quantum graphs present many non-trivial mathematical challenges, which makes them dear to a mathematician's heart. Work on quantum graphs has brought together tools and intuition coming from graph theory, combinatorics, mathematical physics, PDEs, and spectral theory. This book provides a comprehensive introduction to the topic, collecting the main notions and techniques. It also contains a survey of the current state of the quantum graph research and applications.
Quantitative Graph Theory
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Author : Matthias Dehmer
language : en
Publisher: CRC Press
Release Date : 2014-10-27
Quantitative Graph Theory written by Matthias Dehmer and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-27 with Computers categories.
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.
Graph Theoretical Matrices In Chemistry
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Author : Dusanka Janezic
language : en
Publisher: CRC Press
Release Date : 2015-04-22
Graph Theoretical Matrices In Chemistry written by Dusanka Janezic and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-22 with Mathematics categories.
Graph-Theoretical Matrices in Chemistry presents a systematic survey of graph-theoretical matrices and highlights their potential uses. This comprehensive volume is an updated, extended version of a former bestseller featuring a series of mathematical chemistry monographs. In this edition, nearly 200 graph-theoretical matrices are included.This sec
Applications Of Graph Theory And Topology In Inorganic Cluster And Coordination Chemistry
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Author : R. Bruce King
language : en
Publisher: CRC Press
Release Date : 1992-12-01
Applications Of Graph Theory And Topology In Inorganic Cluster And Coordination Chemistry written by R. Bruce King and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-12-01 with Science categories.
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.
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
Advances In Mathematical Chemistry And Applications Volume 1
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Author : Subhash C. Basak
language : en
Publisher: Elsevier
Release Date : 2016-02-11
Advances In Mathematical Chemistry And Applications Volume 1 written by Subhash C. Basak and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-02-11 with Science categories.
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology