Applications Of Graphs In Chemistry And Physics

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Applications of Graphs in Chemistry and Physics

Author : John W. Kennedy
Publisher : North Holland
ISBN 13 :
Total Pages : 434 pages
Book Rating : 4.3/5 (91 download)

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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.

Chemical Graph Theory

Author : D Bonchev
Publisher : Routledge
ISBN 13 : 1351461591
Total Pages : 310 pages
Book Rating : 4.3/5 (514 download)

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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.

Chemical Applications of Graph Theory

Author : A. T. Balaban
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (75 download)

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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 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Graph Theory

Author : Nenad Trinajstic
Publisher : CRC Press
ISBN 13 : 1351461575
Total Pages : 343 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Chemical Graph Theory by : Nenad Trinajstic

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.

Chemical Applications of Graph Theory

Author : A. T. Balaban
Publisher :
ISBN 13 :
Total Pages : 412 pages
Book Rating : 4.3/5 (97 download)

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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:

Introduction to Quantum Graphs

Author : Gregory Berkolaiko
Publisher : American Mathematical Soc.
ISBN 13 : 0821892118
Total Pages : 291 pages
Book Rating : 4.8/5 (218 download)

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Book Synopsis Introduction to Quantum Graphs by : Gregory Berkolaiko

Download or read book Introduction to Quantum Graphs written by Gregory Berkolaiko and published by American Mathematical Soc.. This book was released on 2013 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Graph Theory Applications

Author : L.R. Foulds
Publisher : Springer Science & Business Media
ISBN 13 : 1461209331
Total Pages : 389 pages
Book Rating : 4.4/5 (612 download)

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Book Synopsis Graph Theory Applications by : L.R. Foulds

Download or read book Graph Theory Applications written by L.R. Foulds and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first part of this text covers the main graph theoretic topics: connectivity, trees, traversability, planarity, colouring, covering, matching, digraphs, networks, matrices of a graph, graph theoretic algorithms, and matroids. These concepts are then applied in the second part to problems in engineering, operations research, and science as well as to an interesting set of miscellaneous problems, thus illustrating their broad applicability. Every effort has been made to present applications that use not merely the notation and terminology of graph theory, but also its actual mathematical results. Some of the applications, such as in molecular evolution, facilities layout, and graffic network design, have never appeared before in book form. Written at an advanced undergraduate to beginning graduate level, this book is suitable for students of mathematics, engineering, operations research, computer science, and physical sciences as well as for researchers and practitioners with an interest in graph theoretic modelling.

Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry

Author : R. Bruce King
Publisher : CRC Press
ISBN 13 : 9780849342981
Total Pages : 250 pages
Book Rating : 4.3/5 (429 download)

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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.

New Frontiers in Nanochemistry: Concepts, Theories, and Trends

Author : Mihai V. Putz
Publisher : CRC Press
ISBN 13 : 0429663153
Total Pages : 401 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis New Frontiers in Nanochemistry: Concepts, Theories, and Trends by : Mihai V. Putz

Download or read book New Frontiers in Nanochemistry: Concepts, Theories, and Trends written by Mihai V. Putz and published by CRC Press. This book was released on 2020-05-06 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 2: Topological Nanochemistry is the second of the new three-volume set that explains and explores the important basic and advanced modern concepts in multidisciplinary chemistry. Under the broad expertise of the editor, this second volume explores the rich research areas of nanochemistry with a specific focus on the design and control of nanotechnology by structural and reactive topology. The objective of this particular volume is to emphasize the application of nanochemistry. With 46 entries from eminent international scientists and scholars, the content in this volume spans concepts from A-to-Z—from entries on the atom-bond connectivity index to the Zagreb indices, from connectivity to vapor phase epitaxy, and from fullerenes to topological reactivity—and much more. The definitions within the text are accompanied by brief but comprehensive explicative essays as well as figures, tables, etc., providing a holistic understanding of the concepts presented.

Quantitative Graph Theory

Author : Matthias Dehmer
Publisher : CRC Press
ISBN 13 : 1466584513
Total Pages : 530 pages
Book Rating : 4.4/5 (665 download)

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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.

New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set

Author : Mihai V. Putz
Publisher : CRC Press
ISBN 13 : 0429634099
Total Pages : 1479 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set by : Mihai V. Putz

Download or read book New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set written by Mihai V. Putz and published by CRC Press. This book was released on 2022-05-30 with total page 1479 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.

Introduction to Chemical Graph Theory

Author : Stephan Wagner
Publisher : CRC Press
ISBN 13 : 0429833989
Total Pages : 261 pages
Book Rating : 4.4/5 (298 download)

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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 261 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

Graph Theoretical Approaches to Chemical Reactivity

Author : Danail D. Bonchev
Publisher : Springer Science & Business Media
ISBN 13 : 9401112029
Total Pages : 291 pages
Book Rating : 4.4/5 (11 download)

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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.

Graph-Theoretical Matrices in Chemistry

Author : Dusanka Janezic
Publisher : CRC Press
ISBN 13 : 1498701221
Total Pages : 174 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Graph-Theoretical Matrices in Chemistry by : Dusanka Janezic

Download or read book Graph-Theoretical Matrices in Chemistry written by Dusanka Janezic and published by CRC Press. This book was released on 2015-04-22 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : Robin J. Wilson
Publisher :
ISBN 13 :
Total Pages : 446 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Applications of Graph Theory by : Robin J. Wilson

Download or read book Applications of Graph Theory written by Robin J. Wilson and published by . This book was released on 1979 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Introduction to Quantum Mechanics with Applications to Chemistry

Author : Linus Pauling
Publisher : Courier Corporation
ISBN 13 : 0486134938
Total Pages : 500 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Introduction to Quantum Mechanics with Applications to Chemistry by : Linus Pauling

Download or read book Introduction to Quantum Mechanics with Applications to Chemistry written by Linus Pauling and published by Courier Corporation. This book was released on 2012-06-08 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Mathematical Physics in Theoretical Chemistry

Author : S. M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 423 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Mathematical Physics in Theoretical Chemistry by : S. M. Blinder

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 423 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