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Author: Dusanka Janezic
Publisher: CRC Press
ISBN: 1498701221
Category : Mathematics
Languages : en
Pages : 174
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Book Description
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
Author: Dusanka Janezic
Publisher: CRC Press
ISBN: 1498701221
Category : Mathematics
Languages : en
Pages : 174
Get Book Here
Book Description
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
Author: Du{uFFFD}anka Jane{uFFFD}ic
Publisher:
ISBN: 9780429172236
Category : Chemistry, Analytic
Languages : en
Pages :
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Book Description
Author: Nenad Trinajstic
Publisher: CRC Press
ISBN: 1351461575
Category : Science
Languages : en
Pages : 343
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Book Description
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: Dušanka Janežič
Publisher:
ISBN: 9788681829721
Category :
Languages : en
Pages : 207
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Book Description
Author: Richard A. Brualdi
Publisher: CRC Press
ISBN: 9781420082241
Category : Mathematics
Languages : en
Pages : 288
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Book Description
Unlike most elementary books on matrices, A Combinatorial Approach to Matrix Theory and Its Applications employs combinatorial and graph-theoretical tools to develop basic theorems of matrix theory, shedding new light on the subject by exploring the connections of these tools to matrices. After reviewing the basics of graph theory, elementary counting formulas, fields, and vector spaces, the book explains the algebra of matrices and uses the König digraph to carry out simple matrix operations. It then discusses matrix powers, provides a graph-theoretical definition of the determinant using the Coates digraph of a matrix, and presents a graph-theoretical interpretation of matrix inverses. The authors develop the elementary theory of solutions of systems of linear equations and show how to use the Coates digraph to solve a linear system. They also explore the eigenvalues, eigenvectors, and characteristic polynomial of a matrix; examine the important properties of nonnegative matrices that are part of the Perron–Frobenius theory; and study eigenvalue inclusion regions and sign-nonsingular matrices. The final chapter presents applications to electrical engineering, physics, and chemistry. Using combinatorial and graph-theoretical tools, this book enables a solid understanding of the fundamentals of matrix theory and its application to scientific areas.
Author: D H Rouvray
Publisher: Elsevier
ISBN: 0857099612
Category : Science
Languages : en
Pages : 400
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Book Description
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: A. T. Balaban
Publisher:
ISBN:
Category : Mathematics
Languages : en
Pages : 412
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Book Description
Author: William L. William L. Hamilton
Publisher: Springer Nature
ISBN: 3031015886
Category : Computers
Languages : en
Pages : 141
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Book Description
Graph-structured data is ubiquitous throughout the natural and social sciences, from telecommunication networks to quantum chemistry. Building relational inductive biases into deep learning architectures is crucial for creating systems that can learn, reason, and generalize from this kind of data. Recent years have seen a surge in research on graph representation learning, including techniques for deep graph embeddings, generalizations of convolutional neural networks to graph-structured data, and neural message-passing approaches inspired by belief propagation. These advances in graph representation learning have led to new state-of-the-art results in numerous domains, including chemical synthesis, 3D vision, recommender systems, question answering, and social network analysis. This book provides a synthesis and overview of graph representation learning. It begins with a discussion of the goals of graph representation learning as well as key methodological foundations in graph theory and network analysis. Following this, the book introduces and reviews methods for learning node embeddings, including random-walk-based methods and applications to knowledge graphs. It then provides a technical synthesis and introduction to the highly successful graph neural network (GNN) formalism, which has become a dominant and fast-growing paradigm for deep learning with graph data. The book concludes with a synthesis of recent advancements in deep generative models for graphs—a nascent but quickly growing subset of graph representation learning.
Author: Ravindra B. Bapat
Publisher: Springer
ISBN: 1447165691
Category : Mathematics
Languages : en
Pages : 197
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Book Description
This new edition illustrates the power of linear algebra in the study of graphs. The emphasis on matrix techniques is greater than in other texts on algebraic graph theory. Important matrices associated with graphs (for example, incidence, adjacency and Laplacian matrices) are treated in detail. Presenting a useful overview of selected topics in algebraic graph theory, early chapters of the text focus on regular graphs, algebraic connectivity, the distance matrix of a tree, and its generalized version for arbitrary graphs, known as the resistance matrix. Coverage of later topics include Laplacian eigenvalues of threshold graphs, the positive definite completion problem and matrix games based on a graph. Such an extensive coverage of the subject area provides a welcome prompt for further exploration. The inclusion of exercises enables practical learning throughout the book. In the new edition, a new chapter is added on the line graph of a tree, while some results in Chapter 6 on Perron-Frobenius theory are reorganized. Whilst this book will be invaluable to students and researchers in graph theory and combinatorial matrix theory, it will also benefit readers in the sciences and engineering.
Author: Milan Randic
Publisher: CRC Press
ISBN: 1498711529
Category : Mathematics
Languages : en
Pages : 482
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Book Description
Solved and Unsolved Problems of Structural Chemistry introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity-one of the central themes of chemistry-and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It a
