Advances in Physical Organic Chemistry series 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 a 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 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

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in  influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

All living things contain carbon in some form, as it is the primary component of macromolecules including proteins, lipids, nucleic acids (RNA and DNA), and carbohydrates. As a matter of fact, it is the backbone of all organic (chemistry) compounds forming different kinds of bonds. Carbon: The Black, the Gray and the Transparent is not a complete scientific history of the material, but a book that describes key discoveries about this old faithful element while encouraging broader perspectives and approaches to its research due to its vast applications. All allotropes of carbon are described in this book, along with their properties, uses, and methods of procurement or manufacturing. Black carbon is represented by coal, gray carbon is represented by graphite, and transparent carbon is represented by diamond.

This book opens the audience's eyes to the extraordinary scientific secrets hiding in everyday objects.  Helping readers increase chemistry knowledge in a fun and entertaining way, the book is perfect as a supplementary textbook or gift to curious professionals and novices. *    Appeals to a modern audience of science lovers by discussing multiple examples of chemistry in everyday life *    Addresses compounds that affect everyone in one way or another: poisons, pharmaceuticals, foods, and illicit drugs; thereby evoking a powerful emotional response which increases interest in the topic at hand *    Focuses on edgy types of stories that chemists generally tend to avoid so as not to paint chemistry in a bad light; however, these are the stories that people find interesting *    Provides detailed and sophisticated stories that increase the reader's fundamental scientific knowledge *    Discusses complex topics in an engaging and accessible manner, providing the "how" and "why" that takes readers deeper into the stories

Este texto, dirigido a estudiantes y profesores, es el resultado de una dilatada experiencia docente. Recoge, en los quince capítulos de que consta, una serie de problemas resueltos, de diferente grado de dificultad, sobre los tópicos más habituales en las citadas materias, ofreciendo al alumno una valiosa ayuda en el proceso de autoaprendizaje. Cada capítulo contiene, además, un breve resumen de los conceptos más relevantes, necesarios para la resolución de los problemas planteados.

Much of chemistry is motivated by asking 'How'? How do I make a primary alcohol? React a Grignard reagent with formaldehyde. Physical chemistry is motivated by asking 'Why'? The Grignard reagent and formaldehyde follow a molecular dance known as a reaction mechanism in which stronger bonds are made at the expense of weaker bonds. If you are interested in asking 'why' and not just 'how', then you need to understand physical chemistry. Physical Chemistry: How Chemistry Works takes a fresh approach to teaching in physical chemistry. This modern textbook is designed to excite and engage undergraduate chemistry students and prepare them for how they will employ physical chemistry in real life. The student-friendly approach and practical, contemporary examples facilitate an understanding of the physical chemical aspects of any system, allowing students of inorganic chemistry, organic chemistry, analytical chemistry and biochemistry to be fluent in the essentials of physical chemistry in order to understand synthesis, intermolecular interactions and materials properties. For students who are deeply interested in the subject of physical chemistry, the textbook facilitates further study by connecting them to the frontiers of research. Provides students with the physical and mathematical machinery to understand the physical chemical aspects of any system. Integrates regular examples drawn from the literature, from contemporary issues and research, to engage students with relevant and illustrative details. Important topics are introduced and returned to in later chapters: key concepts are reinforced and discussed in more depth as students acquire more tools. Chapters begin with a preview of important concepts and conclude with a summary of important equations. Each chapter includes worked examples and exercises: discussion questions, simple equation manipulation questions, and problem-solving exercises. Accompanied by supplementary online material: worked examples for students and a solutions manual for instructors. Written by an experienced instructor, researcher and author in physical chemistry, with a voice and perspective that is pedagogical and engaging.

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.