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).
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.
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 .
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
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.
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.
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:
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.
Download or read book Mathematical Methods in Contemporary Chemistry written by Kuchanov and published by CRC Press. This book was released on 1996-03-20 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Algebra and Analysis Gateway to Modern Technology AAGMT 2013 written by K.S. Lakshmi and published by Allied Publishers. This book was released on 2013-03-05 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: To commemorate the completion of 125 years of the great Mathematician Sri Srinivasa Ramanujan, which was also celebrated as National Mathematics Year, the Department organised a two-day National Seminar titled 'Algebra and Analysis—Gateway to Modern Technology' on 29th and 30th of January 2013. The seminar focused on the vital role of Algebra and Analysis in technological development and industry.
Download or read book Handbook of Graphene Volume 2 written by Tobias Stauber and published by John Wiley & Sons. This book was released on 2019-06-12 with total page 685 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume in a series of handbooks on graphene research and applications Graphene is a valuable nanomaterial used in technology. This handbook features graphene topics related to Physics, Chemistry, and Biology. The Handbook of Graphene, Volume 2 delivers an overview on the numerous and diverse graphene research directions and innovations. The handbook covers a range of areas including graphene in optoelectronic devices and as a detector of biomolecules.
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.
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.
Download or read book Aromaticity written by Israel Fernandez and published by Elsevier. This book was released on 2021-05-16 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: Evaluating the aromaticity of a molecular system and the influence of this concept on its properties is a crucial step in the development of novel aromatic systems. Modern computational methods can provide researchers with a high level of insight into such aromaticity, but identifying the most appropriate method for assessing a specific system can prove difficult. Aromaticity: Modern Computational Methods and Applications reviews the latest state-of-the-art computational methods in this field and discusses their applicability for evaluating the aromaticity of a system. In addition to covering aromaticity for typical organic molecules, this volume also explores systems possessing transition metals in their structures, macrocycles and even transition structures. The influence of the aromaticity on the properties of these species (including the structure, magnetic properties and reactivity) is highlighted, along with potential applications in fields including materials science and medicinal chemistry. Finally, the controversial and fuzzy nature of aromaticity as a concept is discussed, providing the basis for an updated and more comprehensive definition of this concept. Drawing on the knowledge of an international team of experts, Aromaticity: Modern Computational Methods and Applications is a unique guide for anyone researching, studying or applying principles of aromaticity in their work, from computational and organic chemists to pharmaceutical and materials scientists. - Reviews a range of computational methods to assess the aromatic nature of different compounds, helping readers select the most useful tool for the system they are studying - Presents a complete guide to the key concepts and fundamental principles of aromaticity - Provides guidance on identifying which variables should be modified to tune the properties of an aromatic system for different potential applications
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.
Download or read book March s Advanced Organic Chemistry written by Michael B. Smith and published by John Wiley & Sons. This book was released on 2019-12-11 with total page 2142 pages. Available in PDF, EPUB and Kindle. Book excerpt: The completely revised and updated, definitive resource for students and professionals in organic chemistry The revised and updated 8th edition of March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure explains the theories of organic chemistry with examples and reactions. This book is the most comprehensive resource about organic chemistry available. Readers are guided on the planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions The opening chapters of March's Advanced Organic Chemistry, 8th Edition deal with the structure of organic compounds and discuss important organic chemistry bonds, fundamental principles of conformation, and stereochemistry of organic molecules, and reactive intermediates in organic chemistry. Further coverage concerns general principles of mechanism in organic chemistry, including acids and bases, photochemistry, sonochemistry and microwave irradiation. The relationship between structure and reactivity is also covered. The final chapters cover the nature and scope of organic reactions and their mechanisms. This edition: Provides revised examples and citations that reflect advances in areas of organic chemistry published between 2011 and 2017 Includes appendices on the literature of organic chemistry and the classification of reactions according to the compounds prepared Instructs the reader on preparing and conducting multi-step synthetic reactions, and provides complete descriptions of each reaction The 8th edition of March's Advanced Organic Chemistry proves once again that it is a must-have desktop reference and textbook for every student and professional working in organic chemistry or related fields. Winner of the Textbook & Acadmic Authors Association 2021 McGuffey Longevity Award.
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.
