Download or read book Some Studies in Theoretical and Mechanistic Organic Chemistry written by David Huntington Wertz and published by . This book was released on 1974 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applied Theoretical Organic Chemistry written by Dean J Tantillo and published by World Scientific. This book was released on 2018-03-08 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice.Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research.Related Link(s)
Download or read book Perspectives on Structure and Mechanism in Organic Chemistry written by Felix A. Carroll and published by John Wiley & Sons. This book was released on 2023-04-14 with total page 869 pages. Available in PDF, EPUB and Kindle. Book excerpt: PERSPECTIVES ON STRUCTURE AND MECHANISM IN ORGANIC CHEMISTRY “Beyond the basics” physical organic chemistry textbook, written for advanced undergraduates and beginning graduate students Based on the author’s first-hand classroom experience, Perspectives on Structure and Mechanism in Organic Chemistry uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds, with the overarching goal of helping students think beyond the simple models of introductory organic chemistry courses. Through this approach, the text better prepares readers to develop new ideas in the future. In the 3rd Edition, the author thoroughly updates the topics covered and reorders the contents to introduce computational chemistry earlier and to provide a more natural flow of topics, proceeding from substitution, to elimination, to addition. About 20% of the 438 problems have been either replaced or updated, with answers available in the companion solutions manual. To remind students of the human aspect of science, the text uses the names of investigators throughout the text and references material to original (or accessible secondary or tertiary) literature as a guide for students interested in further reading. Sample topics covered in Perspectives on Structure and Mechanism in Organic Chemistry include: Fundamental concepts of organic chemistry, covering atoms and molecules, heats of formation and reaction, bonding models, and double bonds Density functional theory, quantum theory of atoms in molecules, Marcus Theory, and molecular simulations Asymmetric induction in nucleophilic additions to carbonyl compounds and dynamic effects on reaction pathways Reactive intermediates, covering reaction coordinate diagrams, radicals, carbenes, carbocations, and carbanions Methods of studying organic reactions, including applications of kinetics in studying reaction mechanisms and Arrhenius theory and transition state theory A comprehensive yet accessible reference on the subject, Perspectives on Structure and Mechanism in Organic Chemistry is an excellent learning resource for students of organic chemistry, medicine, and biochemistry. The text is ideal as a primary text for courses entitled Advanced Organic Chemistry at the upper undergraduate and graduate levels.
Download or read book Advances in Physical Organic Chemistry written by and published by Academic Press. This book was released on 2015-11-20 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Physical Organic Chemistry series of volumes is the definitive resource for authoritative reviews of work in physical organic chemistry. It aims to provide a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is quantitative, molecular level understanding of phenomena across a diverse range of disciplines. Reviews the application of quantitative and mathematical methods to help readers understand chemical problems Provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry Covers organic, organometallic, bioorganic, enzymes, and materials topics The only regularly published resource for reviews in physical organic chemistry Chapters are written by authoritative experts Wide coverage of topics requiring a quantitative, molecular-level understanding of phenomena across a diverse range of disciplines
Download or read book Mechanistic Organic Chemistry written by David Brook and published by de Gruyter. This book was released on 2020-11-06 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding of reaction mechanisms is very important for a chemist since it helps to plan and carry our reactions in a controlled manner. This textbook explains how to elucidate reaction mechanisms employing theoretical and instrumental methods and what practical knowledge they bring. The book covers a full spectrum of techniques, including spectroscopic studies, isotope effects, kinetics, trapping methods and computational approaches.
Download or read book Energetic Materials written by and published by Elsevier. This book was released on 2003-11-25 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years.Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the field
Download or read book Reactivity and Mechanism in Organic Chemistry written by Hendrik Zipse and published by Royal Society of Chemistry. This book was released on 2022-09-16 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: Completely revised and updated, this 2nd Edition of Reactivity and Mechanism in Organic Chemistry is an ideal introduction to the quantitative description of organic reactivity for students in undergraduate and masters chemistry programmes. The book proceeds logically from qualitative molecular orbital theory as a tool for the description of bonding phenomena to combining this with thermochemical data to rationalise concepts such as molecular strain and hyperconjugation. Next, transition state theory, for examining organic reactivity phenomena, is introduced and its relation to energy surfaces and simple rate equations is discussed. On this basis more specific reactivity concepts commonly used in organic chemistry are explored such as the Bell–Evans–Polanyi principle, Marcus theory, HSAB principle, Hammett correlations, the Mayr–Patz equation, and FMO theory. How these reactivity models are applied is demonstrated for pericyclic reactions and selected rearrangement reactions involving transient intermediates such as radicals, diradicals, or carbocations, and for reactions involving classical electrophile/nucleophile combinations.
Download or read book Solutions Manual for Perspectives on Structure and Mechanism in Organic Chemistry written by Felix A. Carroll and published by John Wiley & Sons. This book was released on 2011-03-28 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps to develop new perspectives and a deeper understanding of organic chemistry Instructors and students alike have praised Perspectives on Structure and Mechanism in Organic Chemistry because it motivates readers to think about organic chemistry in new and exciting ways. Based on the author's first hand classroom experience, the text uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds. The first five chapters of the text discuss the structure and bonding of stable molecules and reactive intermediates. These are followed by a chapter exploring the methods that organic chemists use to study reaction mechanisms. The remaining chapters examine different types of acid-base, substitution, addition, elimination, pericyclic, and photochemical reactions. This Second Edition has been thoroughly updated and revised to reflect the latest findings in physical organic chemistry. Moreover, this edition features: New references to the latest primary and review literature More study questions to help readers better understand and apply new concepts in organic chemistry Coverage of new topics, including density functional theory, quantum theory of atoms in molecules, Marcus theory, molecular simulations, effect of solvent on organic reactions, asymmetric induction in nucleophilic additions to carbonyl compounds, and dynamic effects on reaction pathways The nearly 400 problems in the text do more than allow students to test their understanding of the concepts presented in each chapter. They also encourage readers to actively review and evaluate the chemical literature and to develop and defend their own ideas. With its emphasis on complementary models and independent problem-solving, this text is ideal for upper-level undergraduate and graduate courses in organic chemistry.
Download or read book Theoretical Studies on Synthetically Relevant Reactions in Organic Chemistry written by Selina Ching-Hsuan Wang and published by . This book was released on 2008 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reactions and Syntheses written by Lutz F. Tietze and published by John Wiley & Sons. This book was released on 2015-06-22 with total page 667 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of this classic text book has been completely revised, updated, and extended to include chapters on biomimetic amination reactions, Wacker oxidation, and useful domino reactions. The first-class author team with long-standing experience in practical courses on organic chemistry covers a multitude of preparative procedures of reaction types and compound classes indispensable in modern organic synthesis. Throughout, the experiments are accompanied by the theoretical and mechanistic fundamentals, while the clearly structured sub-chapters provide concise background information, retrosynthetic analysis, information on isolation and purification, analytical data as well as current literature citations. Finally, in each case the synthesis is labeled with one of three levels of difficulty. An indispensable manual for students and lecturers in chemistry, organic chemists, as well as lab technicians and chemists in the pharmaceutical and agrochemical industries.
Download or read book Advanced Organic Chemistry written by Francis A. Carey and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 737 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this edition is the same as that of the first edition, that is, to provide a deeper understanding of the structures of organic compounds and the mechanisms of organic reactions. The level is aimed at advanced undergraduates and beginning graduate students. Our goal is to solidify the student's understanding of basic concepts provided in an introduction to organic chemistry and to fill in much more information and detail, including quantitative information, than can be presented in the first course in organic chemistry. The first three chapters consider the fundamental topics of bonding theory, stereochemistry, and conformation. Chapter 4 discusses the techniques that are used to study and characterize reaction mechanisms. The remaining chapters consider basic reaction types with a broad coverage of substituent effects and stereochemistry being provided so that each reaction can be described in good, if not entirely complete, detail. The organization is very similar to the first edition with only a relative shift in emphasis having been made. The major change is the more general application of qualitative molecular orbital theory in presenting the structural basis of substituent and stereoelectronic effects. The primary research literature now uses molecular orbital approaches very widely, while resonance theory serves as the primary tool for explanation of structural and substituent effects at the introductory level. Our intention is to illustrate the use of both types of interpretation, with the goal of facilitating the student's ability to understand and apply the molecular orbital concepts now widely in use.
Download or read book Some Studies of the Molecular Orbital Theory of Organic Chemistry written by John Burchard Bush and published by . This book was released on 1963 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Strategies and Solutions to Advanced Organic Reaction Mechanisms written by Andrei Hent and published by Academic Press. This book was released on 2019-06-15 with total page 884 pages. Available in PDF, EPUB and Kindle. Book excerpt: Strategies and Solutions to Advanced Organic Reaction Mechanisms: A New Perspective on McKillop's Problems builds upon Alexander (Sandy) McKillop's popular text, Solutions to McKillop's Advanced Problems in Organic Reaction Mechanisms, providing a unified methodological approach to dealing with problems of organic reaction mechanism. This unique book outlines the logic, experimental insight and problem-solving strategy approaches available when dealing with problems of organic reaction mechanism. These valuable methods emphasize a structured and widely applicable approach relevant for both students and experts in the field. By using the methods described, advanced students and researchers alike will be able to tackle problems in organic reaction mechanism, from the simple and straight forward to the advanced. Provides strategic methods for solving advanced mechanistic problems and applies those techniques to the 300 original problems in the first publication Replaces reliance on memorization with the understanding brought by pattern recognition to new problems Supplements worked examples with synthesis strategy, green metrics analysis and novel research, where available, to help advanced students and researchers in choosing their next research project
Download or read book Understanding Organometallic Reaction Mechanisms and Catalysis written by Valentin P. Ananikov and published by John Wiley & Sons. This book was released on 2014-08-29 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper understanding of the underlying reaction mechanism and correlation between molecular structure and reactivity. The contributions represent a wealth of first-hand information from renowned experts working in these disciplines, covering such topics as activation of small molecules, C-C and C-Heteroatom bonds formation, cross-coupling reactions, carbon dioxide converison, homogeneous and heterogeneous transition metal catalysis and metal-graphene systems. With the knowledge gained, the reader will be able to improve existing reaction protocols and rationally design more efficient catalysts or selective reactions. An indispensable source of information for synthetic, analytical, and theoretical chemists in academia and industry.
Download or read book Organic Mechanisms written by Xiaoping Sun and published by John Wiley & Sons. This book was released on 2013-06-05 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Instills a deeper understanding of how and why organic reactions happen Integrating reaction mechanisms, synthetic methodology, and biological applications, Organic Mechanisms gives organic chemists the tools needed to perform seamless organic reactions. By explaining the underlying mechanisms of organic reactions, author Xiaoping Sun makes it possible for readers to gain a deeper understanding of not only chemical phenomena, but also the ability to develop new synthetic methods. Moreover, by emphasizing biological applications, this book enables readers to master both advanced organic chemistry theory and practice. Organic Mechanisms consists of ten chapters, beginning with a review of fundamental physicochemical principles that are essential for understanding the nature of organic mechanisms. Each one of the remaining chapters is devoted to a major class of organic reactions, including: Aliphatic C H bond functionalization Functionalization of the alkene C=C bond by cycloaddition reactions Nucleophilic substitutions on sp3-hybridized carbons Nucleophilic additions and substitutions on carbonyl groups Reactivity of the α-hydrogen to carbonyl groups Rearrangements A brief review of basic organic chemistry begins each chapter, helping readers move from fundamental concepts to an advanced understanding of reaction mechanisms. Key mechanisms are illustrated by expertly drawn figures highlighting microscopic details. End-of-chapter problems enable readers to put their newfound knowledge into practice by solving key problems in organic reactions with the use of mechanistic studies, and a Solutions Manual is available online for course instructors. Thoroughly referenced and current with recent findings in organic reaction mechanisms, Organic Mechanisms is recommended for upper-level undergraduates and graduate students in advanced organic chemistry, as well as for practicing chemists who want to further explore the mechanistic aspects of organic reactions.
Download or read book Theoretical and Physical Principles of Organic Reactivity written by Addy Pross and published by Wiley-Interscience. This book was released on 1995-09-25 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This approach to the general problem of organic reactivity combines classical organic chemistry with new theoretical ideas developed by the author. The text contains a non-mathematical description of the curve crossing model, expressed in the language of qualitative valence bond theory.
Download or read book Determination of Organic Reaction Mechanisms written by Barry Keith Carpenter and published by Wiley-Interscience. This book was released on 1984-02-27 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical handbook presents concise descriptions of the most commonly employed experimental techniques for studying reaction mechanisms in organic chemistry. For each technique, all necessary theoretical background is covered, and at least one example of its application--taken from the research literature--is described in detail.
