Kendall N. Houk

Computational Methods in Organometallic Catalysis Discover recent advances in the mechanistic study of organometallic catalysisIn Computational Methods in Organometallic Catalysis: From Elementary Reactions to Mechanisms, distinguished chemist and author Yu Lan delivers a synthesis of the use of calculation methods and experimental techniques to improve the efficiency of reaction and yield of product and to uncover the factors that control the selectivity of product. Providing not only a theoretical overview of organometallic catalysis, the book also describes computational studies for the mechanism of transition-metal-assisted reactions.You’ll learn about Ni-, Pd-, Pt-, Co-, Rh-, Ir-, Fe-, Ru-, Mn-, Cu-, Ag-, and Au- catalysis. You’ll also discover many of the experimental and theoretical advances in organometallic catalysis reported in the recent literature. The book summarizes and generalizes the advances made in the mechanistic study of organometallic catalysis.Readers will also benefit from the inclusion of:A thorough introduction to computational organometallic chemistry, including a brief history of the discipline and the use of computational tools to study the mechanism of organometallic chemistryAn exploration of computational methods in organometallic chemistry, including density functional theory methods and basis sets and their application in mechanism studiesA practical discussion of elementary reactions in organometallic chemistry, including coordination and dissociation, oxidative addition, reductive elimination, insertion, elimination, transmetallation, and metathesisA concise treatment of the theoretical study of transition-metal catalysis.Perfect for organic, catalytic, complex, and structural chemists, Computational Methods in Organometallic Catalysis will also earn a place in the libraries of theoretical chemists seeking a one-stop organometallic catalysis resource with a focus on the mechanism of transition-metal-assisted reactions.

The know-how about reactivity, reaction mechanisms, thermodynamics and other basics in physical organic chemistry is the key for successful organic reactions. This textbook with its workbook presents comprehensively this knowledge to the student and to the researcher, too.

Provides references and answers to every question presented in the primary Organic Chemistry textbook Successfully achieving chemical reactions in organic chemistry requires a solid background in physical chemistry. Knowledge of chemical equilibria, thermodynamics, reaction rates, reaction mechanisms, and molecular orbital theory is essential for students, chemists, and chemical engineers. The Organic Chemistry presents the tools and models required to understand organic synthesis and enables the efficient planning of chemical reactions. This volume, Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis Workbook, complements the primary textbook—supplying the complete, calculated solutions to more than 800 questions on topics such as thermochemistry, pericyclic reactions, organic photochemistry, catalytic reactions, and more. This companion workbook is indispensable for those seeking clear, in-depth instruction on this challenging subject. Written by prominent experts in the field of organic chemistry, this book: Works side-by-side with the primary Organic Chemistry textbookIncludes chapter introductions and re-stated questions to enhance efficiencyFeatures clear illustrations, tables, and figuresStrengthens reader?s comprehension of key areas of knowledge Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis Workbook is a must-have resource for anyone using the primary textbook.

Provides the background, tools, and models required to understand organic synthesis and plan chemical reactions more efficiently Knowledge of physical chemistry is essential for achieving successful chemical reactions in organic chemistry. Chemists must be competent in a range of areas to understand organic synthesis. Organic Chemistry provides the methods, models, and tools necessary to fully comprehend organic reactions. Written by two internationally recognized experts in the field, this much-needed textbook fills a gap in current literature on physical organic chemistry. Rigorous yet straightforward chapters first examine chemical equilibria, thermodynamics, reaction rates and mechanisms, and molecular orbital theory, providing readers with a strong foundation in physical organic chemistry. Subsequent chapters demonstrate various reactions involving organic, organometallic, and biochemical reactants and catalysts. Throughout the text, numerous questions and exercises, over 800 in total, help readers strengthen their comprehension of the subject and highlight key points of learning. The companion Organic Chemistry Workbook contains complete references and answers to every question in this text. A much-needed resource for students and working chemists alike, this text: -Presents models that establish if a reaction is possible, estimate how long it will take, and determine its properties -Describes reactions with broad practical value in synthesis and biology, such as C-C-coupling reactions, pericyclic reactions, and catalytic reactions -Enables readers to plan chemical reactions more efficiently -Features clear illustrations, figures, and tables -With a Foreword by Nobel Prize Laureate Robert H. Grubbs Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis is an ideal textbook for students and instructors of chemistry, and a valuable work of reference for organic chemists, physical chemists, and chemical engineers.

With contributions by numerous experts