A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics in Condensed Phases: Theory, Simulation and Analysis puts the focus on the theory, algorithms, simulations methods and analysis of molecular kinetics in condensed phases. The authors – noted experts on the topic – offer a detailed and thorough description of modern theories and simulation methods to model molecular events. They highlight the rigorous stochastic modelling of molecular processes and the use of mathematical models to reproduce experimental observations, such as rate coefficients, mean first passage times and transition path times. The book’s exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book: Offers an introduction to the topic that combines theory, simulation and analysis Presents a guide written by authors that are well-known and highly regarded leaders in their fields Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed. Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamics Written for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, Molecular Kinetics in Condensed Phases is the authoritative guide to the theoretical and computational toolkits for the study of molecular kinetics in condensed phases.
Bewährtes Konzept auf neuestem Stand: die 7. Auflage dieses Klassikers ist ideal für alle Studentinnen und Studenten, die die Physikalische Chemie quantitativ und mathematisch exakt durchdringen möchten und entsprechend ausgerichtete Vorlesungen hören. Sämtliche Teilgebiete der Physikalischen Chemie werden ausführlich abgedeckt und Bezüge zu Nachbarwissenschaften herausgestellt. Eine Vielzahl von Aufgaben unterschiedlicher Schwierigkeitsgrade unterstützt das Verstehen und erleichtert die Vorbereitung auf Klausuren und mündliche Prüfungen. Damit ist das umfassende Lehrbuch ein zuverlässiger Begleiter für Studierende der Chemie, Physik, Materialwissenschaften und Mineralogie für das gesamte Bachelor- und Master-Studium. * Nachvollziehbare, saubere mathematische Herleitungen von Formeln und Zusammenhängen in allen Teilgebieten der Physikalischen Chemie * Didaktisch hervorragend dank der jahrelangen Erfahrung in Forschung und Lehre von Gerd Wedler und Hans-Joachim Freund * Mit neuen Abschnitten zu oszillierenden Reaktionen und zur nichtlinearen optischen Spektroskopie * Kernaussagen und -inhalte sind am Ende jedes Kapitels kompakt zusammengefasst * Lehr- und Arbeitsbuch erstmals in einem Buch kombiniert * Noch besser für Selbststudium und Prüfungsvorbereitung mit mehr als 350 Aufgaben mit ausführlichen Lösungswegen Zusatzmaterial für Dozenten verfügbar unter www. wiley-vch. de/textbooks Gerd Wedler war bis 1995 Inhaber des Lehrstuhls für Physikalische Chemie der Universität Erlangen-Nürnberg. Sein Forschungsgebiet umfasste die Untersuchung des Adsorptions- und Reaktionsverhaltens kleiner Moleküle an Modellkatalysatoren. Für seine Arbeiten auf diesem Gebiet wurde ihm 1996 die Bunsen-Gedenkmünze der Deutschen Bunsengesellschaft für Physikalische Chemie verliehen. Sein Lehrbuch der Physikalischen Chemie gilt als Standardwerk des Faches. Hans-Joachim Freund war Professor an den Universitäten Erlangen und Bochum und ist seit 1996 Direktor am renommierten Fritz-Haber-Institut in Berlin. Zu seinen Forschungsinteressen gehören die Physik und Chemie fester Oberflächen, die Struktur und Dynamik oxidischer Oberflächen und Nanostrukturen sowie Modellsysteme für die heterogene Katalyse. Seine Forschung wurde mehrfach ausgezeichnet, u. a. mit dem Leibniz-Preis der Deutschen Forschungsgemeinschaft, dem Somorjai Award der American Chemical Society und dem Karl-Ziegler-Preis der Gesellschaft Deutscher Chemiker. Seine Vorträge und Vorlesungen sind für ihre Verständlichkeit besonders auch bei komplexen Sachverhalten bekannt.
A guide and comprehensive review of the most recent advances in homogeneous hydrogenation with non-precious catalysts In recent years a great deal of research has been applied to homogeneous hydrogenation with non-precious catalysis. Homogeneous Hydrogenation with Non-Precious Catalysts offers a review of the latest developments and advances in the field. In addition, the book explores the transition metal catalysis and the concept of frustrated-lewis-pair (FLP) and enzymatic processes. The editor?a noted expert on the topic?discusses the various catalysts and puts the focus on the synthetic vantage point, highlighting the functional group transformation enabled by the respective catalyst. Homogeneous Hydrogenation with Non-Precious Catalysts also presents the industrial view of the topic and includes an overview of the various catalysts by functional group transformations. This important book: -Offers a comprehensive presentation of the newest development in this emerging field -Highlights the transition metal catalysis, the frustrated-lewis-pair (FLP) concept, and enzymatic processes -Provides an industrial perspective of the topic -Includes an overview of the various catalysis by functional group transformations Written for organic chemists, researchers in synthetic chemistry, and industry professionals, Homogeneous Hydrogenation with Non-Precious Catalysts offers a comprehensive and accessible guide to the most recent advances in the field. [/COPY_WEB_CATALOG]
Offers a physical organic chemistry and mechanistic perspective of the chemistry of thermal processes in the gas phase The book looks at all aspects of the chemical processing technique called gas-phase pyrolysis, including its methodology and reactors, synthesis, reaction mechanisms, structure, kinetics, and applications. It discusses combinations of pyrolytic reactors with physiochemical techniques, routes for and reactions for the synthesis of organic compounds, and the control of reaction rates. Gas-Phase Pyrolytic Reactions: Synthesis, Mechanisms, and Kinetics starts with in-depth chapter coverage of static pyrolysis, dynamic flow pyrolysis, and analytical pyrolysis. It then examines synthesis and applications, including flash vacuum pyrolysis in organic synthesis, elimination of HX, elimination of CO and CO 2 , pyrolysis of Meldrum’s acid derivatives, and elimination of N 2. A chapter on reaction mechanism comes next and includes coverage of retero-ene reaction and reactive intermediates. Following that are sections covering: structure/reactivity correlation, functional group & structural frame interconversions; gas-phase pyrolysis of hydrazones and phosphorus Ylides; and more. Deals with a growing area of chemistry and engineering interest that fits under the practices of green and sustainable chemistry Addresses several important aspects: methodology and reactors, synthesis, reaction mechanisms, structure, kinetics, and applications Reviews general methods of pyrolysis techniques Sets out the fundamentals and advantages of gas-phase pyrolysis in a way that illustrates its wide potential applications Gas-Phase Pyrolytic Reactions: Synthesis, Mechanisms, and Kinetics will appeal to organic chemists, physical organic chemists, chemical engineers and anyone interested in green/sustainable chemistry, chemical synthesis, or process chemistry.
Showing how to apply the theoretical knowledge in practice, the one and only compilation of electrochemical experiments on the market now in a new edition. Maintaining its didactic approach, this successful textbook provides clear and easy-to-follow instructions for carrying out the experiments, illustrating the most important principles and applications in modern electrochemistry, while pointing out the potential dangers and risks involved. This second edition contains 84 experiments, many of which cover electrochemical energy conversion and storage as well as electrochemical equilibrium.
Mit seinem lebendigen und anschaulichen Stil sowie einer immer weiter verfeinerten Didaktik hat Peter Atkins das Lernen und Lehren in der Physikalischen Chemie revolutioniert. Sein Stil ist unverwechselbar – und unerreicht. Die 5. Auflagedes «kleinen» Atkins für natur- und ingenieurwissenschaftliche Studiengänge hat ein neues, innovatives Konzept, das dabei unterstützt, sämtliche Hürden zu meistern. Der Stoff ist in 15 Fokus-Kapitel aufgeteilt. Zu Beginn jedes Fokus werden Beziehungen zwischen den Abschnitten innerhalb eines Fokus hergestellt, um die Verbindungen zwischen den verschiedenen Gebieten der Physikalischen Chemie hervorzuheben. Jeder Abschnitt beginnt mit einer Motivation, Nennung der Schlüsselideen und der Voraussetzungen, die die Leserinnen und Leser zum Verständnis des Abschnitts mitbringen sollten. Zahlreiche durchgerechnete Beispiele, Zusammenfassungen, Verständnistests und Hinweise zur richtigen Verwendung von Fachsprache helfen dabei, die erlernten Konzepte zu festigen und ermöglichen zielgerichtetes Lernen und Wiederholen. Passend zur 5. Auflage gibt es erstmals ein Arbeitsbuch mit durchgerechneten Lösungen der mehr als 800 Aufgaben. Der «kleine» Atkins ist und bleibt ein Muss für jeden Einsteiger und jede Einsteigerin in die Physikalische Chemie. Auch im attraktiven Deluxe-Set mit dem Arbeitsbuch erhältlich!
Provides a comprehensive introduction to the field of nanocarbon electrochemistry The discoveries of new carbon materials such as fullerene, graphene, carbon nanotubes, graphene nanoribbon, carbon dots, and graphdiyne have triggered numerous research advances in the field of electrochemistry. This book brings together up-to-date accounts of the recent progress, developments, and achievements in the electrochemistry of different carbon materials, focusing on their unique properties and various applications. Nanocarbon Electrochemistry begins by looking at the studies of heterogeneous electron transfer at various carbon electrodes when redox-active molecules are reversibly and specifically adsorbed on the carbon electrode surface. It then covers electrochemical energy storage applications of various carbon materials, particularly the construction and performance of supercapacitors and batteries by use of graphene and related materials. Next, it concentrates on electrochemical energy conversion applications where electrocatalysis at 0D, 1D, 2D, and 3D carbon materials nanocarbon materials is highlighted. The book finishes with an examination of the contents of electrogenerated chemiluminescence and photoelectrochemical pollutant degradation by use of diamond and related carbon materials. Covers the fundamental properties of different carbon materials and their applications across a wide range of areas Provides sufficient background regarding different applications, which contributes to the understanding of specialists and non-specialists Examines nanoelectrochemistry of adsorption-coupled electron transfer at carbon electrodes; graphene and graphene related materials; diamond electrodes for the electrogenerated chemiluminescence; and more Features contributions from an international team of distinguished researchers Nanocarbon Electrochemistry is an ideal book for students, researchers, and industrial partners working on many diverse fields of electrochemistry, whether they already make frequent use of carbon electrodes in one form of another or are looking at electrodes for new applications.
Provides, in one handbook, comprehensive coverage of one of the hottest topics in stereoselective chemistry Written by leading international authors in the field, this book introduces readers to C-H activation in asymmetric synthesis along with all of its facets. It presents stereoselective C-H functionalization with a broad coverage, from outer-sphere to inner-sphere C-H bond activation, and from the control of olefin geometry to the induction of point, planar and axial chirality. Moreover, methods wherein asymmetry is introduced either during the C-H activation or in a different elementary step are discussed. Presented in two parts?asymmetric activation of C(sp3)-H bonds and stereoselective synthesis implying activation of C(sp2)-H bonds?CH-Activation for Asymmetric Synthesis showcases the diversity of stereogenic elements, which can now be constructed by C-H activation methods. Chapters in Part 1 cover: C(sp3)-H bond insertion by metal carbenoids and nitrenoids; stereoselective C-C bond and C-N bond forming reactions through C(sp3)?H bond insertion of metal nitrenoids; enantioselective intra- and intermolecular couplings; and more. Part 2 looks at: C-H activation involved in stereodiscriminant step; planar chirality; diastereoselective formation of alkenes through C(sp2)?H bond activation; amongst other methods. -Covers one of the most rapidly developing fields in organic synthesis and catalysis -Clearly structured in two parts (activation of sp3- and activation of sp2-H bonds) -Edited by two leading experts in C-H activation in asymmetric synthesis CH-Activation for Asymmetric Synthesis will be of high interest to chemists in academia, as well as those in the pharmaceutical and agrochemical industry.
The book consists of 21 chapters by subject matter experts and is divided into four parts: Soil Microenvironment and Biotransformation Mechanisms; Synergistic effects between substrates and Microbes; Polyhydroxyalakanoates: Resources, Demands and Sustainability; and Cellulose based biomaterials: Benefits and challenges. Included in the chapters are classical bioremediation approaches and advances in the use of nanoparticles for removal of radioactive waste. The book also discusses the production of applied emerging biopolymers using diverse microorganisms. All chapters are supplemented with comprehensive illustrative diagrams and comparative tables.
Written by a «who is who» of leading organic chemists, this anniversary volume represent the Organic Reactions editors' choice of the most important, ground-breaking and versatile reactions in current organic synthesis. The 15 reaction types selected for this volume include reactions for carbon-carbon bond formation, cross-coupling reactions, hydro- and halofunctionalizations, among many others. In line with the successful recipe of the series, each chapter is focused on a single reaction, discussing its mechanism and stereochemistry, scope and limitations, applications to synthesis, comparison with other methods, and experimental procedures. Each chapter concludes with a tabular survey of selected key application examples, complete with reported reaction conditions and yields, to serve as a quick reference guide for synthesis planning.