Download or read book Frontier Orbitals written by Anh Quoc Nguyen and published by John Wiley & Sons. This book was released on 2007-06-11 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many chemical phenomena cannot be explained by classical physics and need quantum mechanics for a full understanding. However these calculations are complicated and their results not always easily translated into chemical language. For most practical purposes chemists need simple “chemically transparent” methods which allow them to make qualitative general predictions. Frontier Orbitals introduces the most valuable of these methods, the frontier orbital approximation, and shows how it can be used for treating structural and reactivity problems in organic chemistry. Frontier Orbitals is a practical manual intended for tutorial classes or self-studies. Applications are classified by chemical criteria: competition between reagents (relative reactivity, including chemoselectivity), sites (regioselectivity) or reaction trajectories (stereoselectivity). The steps involved in solving each problem, such as the choice of model, the calculation of molecular orbitals, and the interpretation of results, are explained. Numerous exercises are found throughout the text, and the full solution and references are given in each case. An extensive listing of MO’s is also given to allow those without access to a computer to work out the exercises. Practical advice is given for those wishing to do their own calculations. Frontier Orbitals is aimed at experimentalists who are well versed in organic chemistry but have little or no understanding of quantum mechanics. A greater emphasis is put on chemistry than on quantum mechanics, and the intelligent use of the rules rather than their mathematical derivation. Written by one of the pioneers of the field, Frontier Orbitals is an essential practical guide to the successes and limitations of this theory.
Download or read book Frontier Orbitals and Reaction Paths written by Kenichi Fukui and published by World Scientific. This book was released on 1997 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.
Download or read book Frontier Orbitals and Reaction Paths written by Kenichi Fukui and published by World Scientific. This book was released on 1997 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of selected papers on the Frontier Orbital Theory, with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.
Download or read book Frontier Orbitals and Organic Chemical Reactions written by Ian Fleming and published by John Wiley & Sons. This book was released on 1976-01-01 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a basic introduction to frontier orbital theory with a review of its applications in organic chemistry. Assuming the reader is familiar with the concept of molecular orbital as a linear combination of atomic orbitals the book is presented in a simple style, without mathematics making it accessible to readers of all levels.
Download or read book Orbitals in Chemistry written by Satoshi Inagaki and published by Springer Science & Business Media. This book was released on 2009-12-16 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: See Table of Contents (PMP)
Download or read book Molecular Orbitals and Organic Chemical Reactions written by Ian Fleming and published by John Wiley & Sons. This book was released on 2011-08-31 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming
Download or read book The Organic Chemist s Book of Orbitals written by William Jorgensen and published by Elsevier. This book was released on 2012-12-02 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Organic Chemist's Book of Orbitals focuses on the mechanisms, stereochemistry, and reactivity of molecular orbitals. Composed of four chapters, the book outlines how molecular orbitals are created by delocalization. Concerns include CC and CH single-bond orbitals; bond orbitals and group orbitals; and the localized orbitals of CH2 and CH3 groups. Schematic diagrams are presented to show the nature, reactions, and compositions of molecular orbitals. The text offers a list of molecules and orbital occupancies. Orbital drawings are presented to show the differences of the molecular orbitals of hydrogen, water, ammonia, methane, nitrogen, carbon monoxide, and acetylene. The book also provides an index of references for the molecular geometries and orbital energies employed in the orbital drawings. Considering the weight of data presented, the book is a great find for readers interested in studying molecular orbitals.
Download or read book Understanding Organic Reaction Mechanisms written by Adam Jacobs and published by Cambridge University Press. This book was released on 1997-07-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: First/second year text in chemistry.
Download or read book Introduction to Bioorganic Chemistry and Chemical Biology written by David Van Vranken and published by Garland Science. This book was released on 2018-10-08 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Bioorganic Chemistry and Chemical Biology is the first textbook to blend modern tools of organic chemistry with concepts of biology, physiology, and medicine. With a focus on human cell biology and a problems-driven approach, the text explains the combinatorial architecture of biooligomers (genes, DNA, RNA, proteins, glycans, lipids, and terpenes) as the molecular engine for life. Accentuated by rich illustrations and mechanistic arrow pushing, organic chemistry is used to illuminate the central dogma of molecular biology. Introduction to Bioorganic Chemistry and Chemical Biology is appropriate for advanced undergraduate and graduate students in chemistry and molecular biology, as well as those going into medicine and pharmaceutical science.
Download or read book Theoretical Chemistry Volume 3 written by Richard Newland Dixon and published by Royal Society of Chemistry. This book was released on 1974 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt: This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.
Download or read book Aromaticity and Metal Clusters written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2010-10-15 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters. Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations. The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include: Computational studies on molecules with unusual aromaticity Electronic shells and magnetism in small metal clusters A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring The correlation between electron delocalization and ring currents in all metallic aromatic compounds Phenomenological shell model and aromaticity in metal clusters Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.
Download or read book Photoluminescence written by Thomas S. Teets and published by American Chemical Society. This book was released on 2021-12-21 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photoluminescence provides readers with the appropriate background to thoroughly understand chemical literature involving photoluminescence measurements and interpret photoluminescence data from their own research. It includes a primer on experimental methods as well, so that readers with the appropriate instrument-specific training at their institution can begin conducting reliable photoluminescence experiments in their own research. Since it is rare for chemistry undergraduate or graduate programs to include courses entirely devoted to this topic, this e-book bridges that gap to give readers a solid foundation in photoluminescence, which is relevant to many areas of modern research.
Download or read book Advanced Organic Chemistry written by Francis A. Carey and published by Springer Science & Business Media. This book was released on 2000 with total page 844 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is part A of a new edition of a two-volume text on organic chemistry that aims to solidify and extend the student's understanding of basic concepts and to illustrate how structural changes influence mechanism and reactivity.
Download or read book Essays in the Philosophy of Chemistry written by Eric R. Scerri and published by Oxford University Press. This book was released on 2016 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's Essays in the Philosophy of Chemistry is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the hard sciences and philosophy become much more linked.
Download or read book Advanced Organic Chemistry written by Reinhard Bruckner and published by Elsevier. This book was released on 2001-08-03 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: A best-selling mechanistic organic chemistry text in Germany, this text's translation into English fills a long-existing need for a modern, thorough and accessible treatment of reaction mechanisms for students of organic chemistry at the advanced undergraduate and graduate level. Knowledge of reaction mechanisms is essential to all applied areas of organic chemistry; this text fulfills that need by presenting the right material at the right level.
Download or read book Electronic Structure and Surfaces of Sulfide Minerals written by Jianhua Chen and published by Elsevier. This book was released on 2020-04-23 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure and Surfaces of Sulfide Minerals: Density Functional Theory and Applications examines the mineral structure and electronic properties of minerals and their relationship to mineral floatability by density functional theory (DFT). This pragmatic guide explores the role of minerals in flotation by focusing on the mineral surface structure, electronic properties, and the adsorption of flotation agents through the study of the microscopic mechanism of reagents from the structure and properties of minerals. The flotation mechanism is explained from the point-of-view of solid physics, which is of great significance for both theoretical research and practical applications. The study of the structure and properties of the minerals can reveal the essential nature of mineral flotation, hence why minerals have floatability, the mechanism of response of different minerals to different chemicals, and the origin of the selectivity of flotation agents. Discusses the relationship between mineral properties and floatability in terms of crystal structure, atomic coordination structure and electronic properties Covers the influence of the surface structure of the mineral on surface charge distribution, reactivity and electron density, including a quantitative calculation method for the atomic reactivity of the mineral surface Includes research on the microstructure and mechanism of reagent molecules adsorption on the surface of minerals, focusing on the interactions between water molecules, oxygen molecules and reagents
Download or read book Chemical Principles of Nanoengineering written by Andrea R. Tao and published by John Wiley & Sons. This book was released on 2023-09-27 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Principles of Nanoengineering Understand the chemical properties of nanomaterials with this thorough introduction Nanomaterials, which possess at least one dimension lower than 100 nanometers, are increasingly at the forefront of technological and chemical innovation. The properties of these uniquely minute materials give them distinctive applications across a huge range of industries and research fields. It is therefore critical that the next generation of engineers and materials scientists understand these materials, their chemical properties, and how they form bonds. Chemical Principles of Nanoengineering answers this need with a thorough, detailed introduction to nanomaterials and their underlying chemistry. It particularly emphasizes the connection between nanomaterial properties and chemical bonds, which in turn allows readers to understand how these properties change at different scales. The result is a critical resource for understanding these increasingly vital materials. Chemical Principles of Nanoengineering readers will also find: Step-by-step arrangement of material to facilitate learning in sequence and gradual, self-guided progress End-of-chapter problems and key concept definitions to reinforce learning Detailed coverage of important nanomaterials like quantum dots, carbon nanotubes, graphene, and more Chemical Principles of Nanoengineering is a must-have for advanced undergraduates and beginning graduate students in materials science, chemical engineering, chemistry, and related fields.
