So many compounds, so many experiments reported by so many researchers using so many methods Finding reliable data on bond dissociation energies (BDEs) can be like looking for a needle in a haystack. But these data are crucial to work in chemical kinetics, free radical chemistry, organic thermochemistry, and physical organic chemistry-so where does

The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. The material has been updated to reflect advances in the field since the previous edition, especially in computational chemistry. Part A covers fundamental structural topics and basic mechanistic types. It can stand-alone; together, with Part B: Reaction and Synthesis, the two volumes provide a comprehensive foundation for the study in organic chemistry. Companion websites provide digital models for study of structure, reaction and selectivity for students and exercise solutions for instructors.

"[This book] collects together, largely for the first time, a series of chapters dedicated to all the ways in which molecular modeling/computational chemistry can impact organic chemistry." -Christopher J. Cramer, author of Essentials ofComputational Chemistry: Theories and Models Computational Organic Chemistry provides a practical overview of the ways in which computational modeling methods and applications can be used in organic chemistry to predict the structure and reactivity of organic molecules. After a concise survey of computational methods, the book presents in-depth case studies that show how various computational methods have provided critical insight into the nature of organic mechanisms. With a focus on methodologies, this unique resource: * Discusses simple molecular properties, pericyclic reactions, carbenes and radicals, anion chemistry, solvent effects, and more * Features sidebars that offer a personal look at some of the leading practitioners in the field * Conveys the strengths and limitations of each method, so that readers develop a feel for the correct "tool" to use in the context of a specific problem * Further informs readers with a supporting Web site that provides links to materials cited and features a blog that discusses and provides links to new relevant articles at www.trinity.edu/sbachrac/coc/ This is a great reference for practicing physical organic and computational chemists, as well as a thought-provoking textbook for graduate-level courses in computational chemistry and organic chemistry.

Organosilicon Compounds provides readers with the state-of-the-art status of organosilicon chemistry, including its theoretical, synthetic, physico-chemical and applied aspects. By including high quality content in a key strategic signing area, this work is a strong addition to chemistry offerings in organic, main group and organometallic research. Organosilicon chemistry deals with compounds containing carbon–silicon bonds, an essential part of organic and organometallic chemistry. This book presents the many milestone in the field that have been discovered during the last few years, also detailing its usage in commercial products, such as sealants, adhesives and coatings. - Features valuable contributions from prominent experts who cover both fundamental (theoretical, synthetic, physico-chemical) and applied (material science, applications) aspects - Covers important breakthroughs in the field, along with historically significant achievements - Includes applied information for a wide range of specialists, from junior and senior researchers (from both academia and industry) working in organometallic, organosilicon, main group element, transition metal, industrial silicon chemistry, and more

Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure and crystal structure, discusses insights from numerical simulations, and highlights applications of these approaches to the design of new materials. Providing practical guidelines for implementing predictive models and their application to the search for new compounds, this book is an authoritative guide to an exciting field of research that warrants a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity and leading to a lot of experimental data in this area. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. - Highlights a range of approaches for computational simulation and the importance of combining them to accurately understand or estimate different parameters - Provides an overview of experimental findings and knowledge in a quick and accessible format - Presents guidelines to implement sensitivity models using open-source python-related software, thus supporting easy implementation of flexible models and allowing fast assessment of hypotheses

Progress of thermodynamics has been stimulated by the findings of a variety of fields of science and technology. The principles of thermodynamics are so general that the application is widespread to such fields as solid state physics, chemistry, biology, astronomical science, materials science, and chemical engineering. The contents of this book should be of help to many scientists and engineers.

The term “reactive oxygen species” (ROS) refers to a group of reactive molecules and free radicals produced by molecular oxygen. In recent decades, there has been great interest in the role of ROS in various diseases. From basic science research to clinical trials, biomedical scientists have made rapid progress toward a better understanding of ROS-metabolizing systems and their role in health and diseases. This book includes sixteen chapters that address topics such as the history of ROS, its role in autoimmunity, neurodegeneration, and aging, and recent advances in various antioxidants and their therapeutic potential.

Advances in Physical Organic Chemistry, Volume 56 presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal 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. Chapters due to be included in this release cover flavin-dependent enzyme catalysed reactions, coacervates and their properties, heavy atom tunnelling, machine learning, acidity and substituent effects. - 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 - Presents the only regularly published resource for reviews in physical organic chemistry - Written by authoritative experts who cover a wide range of topics that require a quantitative, molecular-level understanding of phenomena across a diverse range of disciplines

Organosilicon Compounds: Experiment (Physico-Chemical Studies) and Applications, volume 2, also contains two parts. In its first part, Experiment (Physico-Chemical Studies), the application of modern instrumental tools (such as X-ray crystallography, 29Si NMR spectroscopy, UV-Photoelectron Spectroscopy, and other methods) for assessing the structures of organosilicon compounds is described. The second part, Applications, reviews the current research in the field of material science, specifically the use of organosilicon compounds in synthetic chemistry directed towards the creation of new materials. Organosilicon Compounds: From Theory to Synthesis to Applications provides a comprehensive overview of this important area of organic and organometallic chemistry, dealing with compounds containing carbon–silicon bonds. This field, which includes compounds that are widely encountered in commercial products such as in the fabrication of sealants, adhesives, and coatings, has seen many milestone discoveries reported during the last two decades. Beginning with the theoretical aspects of organosilicon compounds' structure and bonding, the book then explores their synthetic aspects, including main group element organosilicon compounds, transition metal complexes, silicon cages and clusters, low-coordinate organosilicon derivatives (cations, radicals, anions, multiple bonds to silicon, silaaromatics), and more. Next, readers will find valuable sections that explore physical and chemical properties of organosilicon compounds by means of X-ray crystallography, 29Si NMR spectroscopy, photoelectron spectroscopy, and other methods. Finally, the work delves into applications for industrial uses and in many related fields, such as polymers, material science, nanotechnology, bioorganics, and medicinal silicon chemistry. - Features valuable contributions from prominent experts cover both fundamental (theoretical, synthetic, physico-chemical) and applied (material science, applications) aspects of modern organosilicon chemistry - Covers important breakthroughs in the field as well as with the historically significant achievements of the past - Includes applied information for a wide range of specialists from junior and senior researchers (from both academia and industry), working in organometallic, organosilicon, main group element, transition metal, and industrial silicon chemistry, as well as those from interdisciplinary fields such as polymer, material science, nanotechnology

Natural Polyphenols from Wood: Tannin and Lignin – An Industrial Perspective is a detailed guide to the sourcing and processing of tannin and lignin for valuable advanced applications across areas such as fuels, chemicals, drugs, and food. Drawing on the latest academic research and patent literature, this book provides strong practical understanding of the use of these valuable materials in novel industrial applications. This book introduces natural polyphenols from wood and the fundamental aspects of carbon management within the tree. In-depth presentation of extraction and characterization methods is followed by an extensive coverage of practical and industrial applications of wood polyphenols. This is an essential resource for researchers and advanced students working with lignin or tannin, and across biopolymer science, biomass, wood chemistry, paper, wood adhesives, polymer materials, renewable resources, and biotechnology. It also supports industrial R&D and scientists working with wood polyphenols or bio-based polymers. - This book re-evaluates wood polyphenols from an industrial perspective, revealing the latest techniques and drawing on patent literature. - It addresses fundamental issues of wood polyphenols, such as carbon cycle, wood fractionation, structure, and properties. - It offers a comprehensive review of practical applications, including lignin depolymerization, wood reconstruction, fuels, chemicals, drugs, and food.