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Topological Approach to the Chemistry of Conjugated Molecules
"The second step is to determine constitution, Le. which atoms are bonded to which and by what types of bond. The result is ex pressed by a planar graph (or the corresponding connectivity mat rix) •••• In constitutional formulae, the atoms are represented by letters and the bonds by lines. They describe the topology of the molecule." VLADIMIR PRELOG, Nobel Lecture, December l2;h 1975. In the present notes we describe the topological approach to the che mistry of conjugated molecules using graph-theoretical concepts. Con jugatedstructures may be conveniently studied using planar and connec ted graphs because they reflect in the simple way the connectivity of their pi-centers. Connectivity is important topological property of a molecule which allows a conceptual qualitative understanding, via a non numerical analysis, of many chemical phenomena or at least that part of phenomenon which depends on topology. This would not be possible sole ly by means of numerical (molecular orbital) analysis.
Chemical Modelling
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed...
Towards an Information Theory of Complex Networks
For over a decade, complex networks have steadily grown as an important tool across a broad array of academic disciplines, with applications ranging from physics to social media. A tightly organized collection of carefully-selected papers on the subject, Towards an Information Theory of Complex Networks: Statistical Methods and Applications presents theoretical and practical results about information-theoretic and statistical models of complex networks in the natural sciences and humanities. The book's major goal is to advocate and promote a combination of graph-theoretic, information-theoretic, and statistical methods as a way to better understand and characterize real-world networks. This ...
Periodic Nanostructures
These tiny structures could offer architectural designs for the cities of the future. The authors explore the foam-like carbon structures, which relate to ‘schwarzites’ and which are infinite periodic minimal surfaces of negative curvature. They show that the periodicity of close repeat units of such structures is evident not only in these formations but also in all of the carbon allotropes. The text provides literature and data on the field of nanostructure periodicity and the authors’ own results on nanostructure building and energy calculations.
MATHEMATICAL COMBINATORICS, Vol. 4 / 2017
The Mathematical Combinatorics (International Book Series) is a fully refereed international book series with ISBN number on each issue, sponsored by the MADIS of Chinese Academy of Sciences and published in USA quarterly comprising 110-160 pages approx. per volume, which publishes original research papers and survey articles in all aspects of Smarandache multi-spaces, Smarandache geometries, mathematical combinatorics, non-euclidean geometry and topology and their applications to other sciences.
Handbook of Molecular Descriptors
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins o...
Thiazole and Its Derivatives, Volume 34, Part 1
The Chemistry of Heterocyclic Compounds, since its inception, has been recognized as a cornerstone of heterocyclic chemistry. Each volume attempts to discuss all aspects – properties, synthesis, reactions, physiological and industrial significance – of a specific ring system. To keep the series up-to-date, supplementary volumes covering the recent literature on each individual ring system have been published. Many ring systems (such as pyridines and oxazoles) are treated in distinct books, each consisting of separate volumes or parts dealing with different individual topics. With all authors are recognized authorities, the Chemistry of Heterocyclic Chemistry is considered worldwide as the indispensable resource for organic, bioorganic, and medicinal chemists.
Contemporary Studies in Discrete Mathematics
Volume 2 Issue 1 of the journal "Contemporary Studies in Discrete Mathematics"
Modern Trends in Fuzzy Graph Theory
This book provides an extensive set of tools for applying fuzzy mathematics and graph theory to real-life problems. Balancing the basics and latest developments in fuzzy graph theory, this book starts with existing fundamental theories such as connectivity, isomorphism, products of fuzzy graphs, and different types of paths and arcs in fuzzy graphs to focus on advanced concepts such as planarity in fuzzy graphs, fuzzy competition graphs, fuzzy threshold graphs, fuzzy tolerance graphs, fuzzy trees, coloring in fuzzy graphs, bipolar fuzzy graphs, intuitionistic fuzzy graphs, m-polar fuzzy graphs, applications of fuzzy graphs, and more. Each chapter includes a number of key representative applications of the discussed concept. An authoritative, self-contained, and inspiring read on the theory and modern applications of fuzzy graphs, this book is of value to advanced undergraduate and graduate students of mathematics, engineering, and computer science, as well as researchers interested in new developments in fuzzy logic and applied mathematics.
