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Book Kekul   Structures in Benzenoid Hydrocarbons

Download or read book Kekul Structures in Benzenoid Hydrocarbons written by Sven J. Cyvin and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is an attempt to outline the basic facts concerning Kekul€ structures in benzenoid hydrocarbons: their history, applica tions and especially enumeration. We further pOint out the numerous and often quite remarkable connections between this topic and various parts of combinatorics and discrete mathematics. Our book is primarily aimed toward organic and theoretical chemists interested in the enume ration of Kekule structures of conjugated hydrocarbons as well as to scientists working in the field of mathematical and computational chemistry. The book may be of some relevance also to mathematicians wishing to learn about contemporary applications of combinatorics, graph theory and other branches of discrete mathematics. In 1985, when we decided to prepare these notes for publication, we expected to be able to give a complete account of all known combi natorial formulas for the number of Kekule structures of benzenoid hydrocarbons. This turned out to be a much more difficult task than we initially realized: only in 1986 some 60 new publications appeared dealing with the enumeration of Kekule structures in benzenoids and closely related topics. In any event, we believe that we have collec ted and systematized the essential part of the presently existing results. In addition to this we were delighted to see that the topics to·which we have been devoted in the last few years nowadays form a rapidly expanding branch of mathematical chemistry which attracts the attention of a large number of researchers (both chemists and mathematicians).

Book Advances in the Theory of Benzenoid Hydrocarbons II

Download or read book Advances in the Theory of Benzenoid Hydrocarbons II written by Jon Brunvoll and published by Springer. This book was released on 1992 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Theory of Coronoid Hydrocarbons

Download or read book Theory of Coronoid Hydrocarbons written by Sven J. Cyvin and published by Springer. This book was released on 2014-03-12 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book The Chemistry of the Non benzenoid Hydrocarbons and Their Simple Derivatives

Download or read book The Chemistry of the Non benzenoid Hydrocarbons and Their Simple Derivatives written by Benjamin Talbott Brooks and published by . This book was released on 1922 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Handbook of Applied Algorithms

Download or read book Handbook of Applied Algorithms written by Amiya Nayak and published by John Wiley & Sons. This book was released on 2007-11-09 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover the benefits of applying algorithms to solve scientific, engineering, and practical problems Providing a combination of theory, algorithms, and simulations, Handbook of Applied Algorithms presents an all-encompassing treatment of applying algorithms and discrete mathematics to practical problems in "hot" application areas, such as computational biology, computational chemistry, wireless networks, and computer vision. In eighteen self-contained chapters, this timely book explores: * Localized algorithms that can be used in topology control for wireless ad-hoc or sensor networks * Bioinformatics algorithms for analyzing data * Clustering algorithms and identification of association rules in data mining * Applications of combinatorial algorithms and graph theory in chemistry and molecular biology * Optimizing the frequency planning of a GSM network using evolutionary algorithms * Algorithmic solutions and advances achieved through game theory Complete with exercises for readers to measure their comprehension of the material presented, Handbook of Applied Algorithms is a much-needed resource for researchers, practitioners, and students within computer science, life science, and engineering. Amiya Nayak, PhD, has over seventeen years of industrial experience and is Full Professor at the School of Information Technology and Engineering at the University of Ottawa, Canada. He is on the editorial board of several journals. Dr. Nayak's research interests are in the areas of fault tolerance, distributed systems/algorithms, and mobile ad-hoc networks. Ivan StojmenoviC?, PhD, is Professor at the University of Ottawa, Canada (www.site.uottawa.ca/~ivan), and Chair Professor of Applied Computing at the University of Birmingham, United Kingdom. Dr. Stojmenovic? received the Royal Society Wolfson Research Merit Award. His current research interests are mostly in the design and analysis of algorithms for wireless ad-hoc and sensor networks.

Book Introduction to the Theory of Benzenoid Hydrocarbons

Download or read book Introduction to the Theory of Benzenoid Hydrocarbons written by Ivan Gutman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 157 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last hundred years benzenoid hydrocarbons have constantly attracted the attention of both experimental and theoretical chemists. In spite of the fact that some of the basic concepts of the theory of benzenoid hydrocarbons have their origins in the 19th and early 20th century, research in this area is still in vigorous expansion. The present book provides an outline of the most important current theoretical approaches to benzenoids. Emphasis is laid on the recent developments of these theories, which can certainly be characterized as a significant advance. Em phasis is also laid on practical applications rather than on "pure" theory. The book assumes only some elementary knowledge of organic and physical chemistry and requires no special mathematical training. Therefore we hope that undergraduate students of chemistry will be able to follow the text without any difficulty. Since organic and physical chemists are nowadays not properly acquaint ed lVith the modern theory of benzenoid molecules, we hope that they will find this book both useful and informative. Our book is also aimed at theoretical chemists, especially those concerned with the "topological" features of organic molecules. The authors are indebted to Dr. WERNER SCHMIDT (Ahrensburg, FRG) for valuable discussions. One of the authors (1. G.) thanks the Royal Norwegian Council for Scientific and Industrial Research for financial support during 1988, which enabled him to stay at the University of Trondheim and write the present book. Trondheim, July 1989 Ivan Gutman Sven J. Cyvin Contents Chapter 1 Benzenoid Hydrocarbons .

Book Advances in Quantum Chemistry

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 2018-04-16 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry, Volume 77, presents surveys of current topics in this rapidly developing field, one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. It features detailed reviews written by leading international researchers, with this release focusing on topics such as Per-Olov Löwdin's Impact on a 'Lost Son', Electron impact ionization cross sections for inner L- and M-subshells of atomic targets at relativistic energies, Aromaticity Revisited, Electron-atom and electron-molecule resonances, Precise Born-Oppenheimer potentials of the excited states of H_2 using explicitly correlated exponential functions, and more. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers

Book Molecular Descriptors for Chemoinformatics

Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Book Carbon Bonding and Structures

Download or read book Carbon Bonding and Structures written by Mihai V. Putz and published by Springer Science & Business Media. This book was released on 2011-08-27 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Carbon Bonding and Structures: Advances in Physics and Chemistry" features detailed reviews which describe the latest advances in the modeling and characterization of fundamental carbon based materials and recently designed carbon composites. Significant advances are reported and reviewed by globally recognized experts in the field. The quantification, indexing, and interpretation of physical and chemical patterns of carbon atoms in molecules, crystals, and nanosystems is presented. "Carbon Bonding and Structures: Advances in Physics and Chemistry" will be primarily of interest to theoretical physical chemists and computational materials scientists based in academia, government laboratories, and industry.

Book Partitioning of Fibonacci Numbers Representing Kekule Structures

Download or read book Partitioning of Fibonacci Numbers Representing Kekule Structures written by Sherif El-Basil and published by . This book was released on 1987 with total page 29 pages. Available in PDF, EPUB and Kindle. Book excerpt: When a Kekule structure is transformed into the subspace of its double bonds a factor of graph results. A function called degenerate transformation is defined on the set of factor graphs of a benzenoid system which was demonstrated to be an equivalence relation. For nonbranched catacondensed all-benzenoid, NBCCAB, hydrocarbons, this relation is shown to preserve the Fibonacci-type recursion of the number of their Kekule structures. Keywords: Graph theory, Factor graph, Fibonacci numbers, Equivalence relation.

Book Fibonacci and Catalan Numbers

Download or read book Fibonacci and Catalan Numbers written by Ralph Grimaldi and published by John Wiley & Sons. This book was released on 2012-02-21 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover the properties and real-world applications of the Fibonacci and the Catalan numbers With clear explanations and easy-to-follow examples, Fibonacci and Catalan Numbers: An Introduction offers a fascinating overview of these topics that is accessible to a broad range of readers. Beginning with a historical development of each topic, the book guides readers through the essential properties of the Fibonacci numbers, offering many introductory-level examples. The author explains the relationship of the Fibonacci numbers to compositions and palindromes, tilings, graph theory, and the Lucas numbers. The book proceeds to explore the Catalan numbers, with the author drawing from their history to provide a solid foundation of the underlying properties. The relationship of the Catalan numbers to various concepts is then presented in examples dealing with partial orders, total orders, topological sorting, graph theory, rooted-ordered binary trees, pattern avoidance, and the Narayana numbers. The book features various aids and insights that allow readers to develop a complete understanding of the presented topics, including: Real-world examples that demonstrate the application of the Fibonacci and the Catalan numbers to such fields as sports, botany, chemistry, physics, and computer science More than 300 exercises that enable readers to explore many of the presented examples in greater depth Illustrations that clarify and simplify the concepts Fibonacci and Catalan Numbers is an excellent book for courses on discrete mathematics, combinatorics, and number theory, especially at the undergraduate level. Undergraduates will find the book to be an excellent source for independent study, as well as a source of topics for research. Further, a great deal of the material can also be used for enrichment in high school courses.

Book The Aromatic Sextet

    Book Details:
  • Author : Erich Clar
  • Publisher : John Wiley & Sons
  • Release : 1972
  • ISBN :
  • Pages : 144 pages

Download or read book The Aromatic Sextet written by Erich Clar and published by John Wiley & Sons. This book was released on 1972 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book From Chemical Topology to Three Dimensional Geometry

Download or read book From Chemical Topology to Three Dimensional Geometry written by Alexandru T. Balaban and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.

Book Molecular Design

    Book Details:
  • Author : A.L. Horvath
  • Publisher : Elsevier
  • Release : 2012-12-02
  • ISBN : 0444596739
  • Pages : 1505 pages

Download or read book Molecular Design written by A.L. Horvath and published by Elsevier. This book was released on 2012-12-02 with total page 1505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.

Book Chemical Graph Theory

    Book Details:
  • Author : Nenad Trinajstic
  • Publisher : CRC Press
  • Release : 2018-05-11
  • ISBN : 1351461575
  • Pages : 343 pages

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.

Book Theory of Coronoid Hydrocarbons II

Download or read book Theory of Coronoid Hydrocarbons II written by S.J. Cyvin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present monograph is a continuation of Cyvin SJ, Brunvoll J and Cyvin (1991c), a reference to be found in Bibliography. Naturally, the previous volume is cited frequently here. For the sake of brevity, it is referred to as "Volume I". References to different chapters, sections or paragraphs are given like Vol. 1-1, 1-1.2 or 1-1.2.2, respectively. Also tables and equations in "Volume I" are cited; the very last equation therein, for instance, is Vol. I-{9.9). The present text spans from references to organic syntheses or attempted organic syntheses - - to stringent mathematical theorems proved by graph-theoretical methods. Enumerations of coronoid systems is a substantial part of the work. Algebraic methods involving combinatorics and generating functions are employed on one hand, and computer programming on the other. The whole book is supposed to demonstrate a piece of mathematical chemistry, which can be characterized as lying on the "interfaces between mathematics, chemistry and computer science", a formulation used for the MATH/CHEM/COMP Conferences; d. Cyvin SJ, Brunvoll and Cyvin (1989d) in Bibliography. Financial support to BNC from the Norwegian Council for Science and the Humanities is gratefully acknowledged.

Book Introduction to Graphene Based Nanomaterials

Download or read book Introduction to Graphene Based Nanomaterials written by Luis E. F. Foa Torres and published by Cambridge University Press. This book was released on 2020-01-30 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene is one of the most intensively studied materials, and has unusual electrical, mechanical and thermal properties, which provide almost unlimited potential applications. This book provides an introduction to the electrical and transport properties of graphene and other two-dimensional nanomaterials, covering ab-initio to multiscale methods. Updated from the first edition, the authors have added chapters on other two-dimensional materials, spin-related phenomena, and an improved overview of Berry phase effects. Other topics include powerful order N electronic structure, transport calculations, and ac transport and multiscale transport methodologies. Chapters are complemented with concrete examples and case studies, questions and exercises, detailed appendices and computational codes. It is a valuable resource for graduate students and researchers working in physics, materials science or engineering who are interested in the field of graphene-based nanomaterials.