Download or read book New Directions in the Modeling of Organometallic Reactions written by Agustí Lledós and published by Springer Nature. This book was released on 2020-11-05 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists’ methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.
Download or read book Supramolecular Catalysis written by Piet W.N.M. van Leeuwen and published by John Wiley & Sons. This book was released on 2022-05-31 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular Catalysis Provides a timely and detailed overview of the expanding field of supramolecular catalysis The subdiscpline of supramolecular catalysis has expanded in recent years, benefiting from the development of homogeneous catalysis and supramolecular chemistry. Supramolecular catalysis allows chemists to design custom-tailored metal and organic catalysts by devising non-covalent interactions between the various components of the reaction. Edited by two world-renowned researchers, Supramolecular Catalysis: New Directions and Developments summarizes the most significant developments in the dynamic, interdisciplinary field. Contributions from an international panel of more than forty experts address a broad range of topics covering both organic and metal catalysts, including emergent catalysis by self-replicating molecules, switchable catalysis using allosteric effects, supramolecular helical catalysts, and transition metal catalysis in confined spaces. This authoritative and up-to-date volume: Covers ligand-ligand interactions, assembled multi-component catalysts, ligand-substrate interactions, and supramolecular organocatalysis and non-classical interactions Presents recent work on supramolecular catalysis in water, supramolecular allosteric catalysis, and catalysis promoted by discrete cages, capsules, and other confined environments Highlights current research trends and discusses the future of supramolecular catalysis Includes full references and numerous figures, tables, and color illustrations Supramolecular Catalysis: New Directions and Developments is essential reading for catalytic chemists, complex chemists, biochemists, polymer chemists, spectroscopists, and chemists working with organometallics.
Download or read book Advances in Organometallic Chemistry written by and published by Academic Press. This book was released on 2022-06-29 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Organometallic Chemistry, Volume 78, the latest release in this longstanding serial known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more includes a variety of new chapters in this updated release. Users will find amazing coverage on Multiple bonds stabilized by Terphenyl Ligands, Selectivity in the Activation of C-H Bonds by Rhodium and Iridium Complexes, Transition Metal-Catalyzed C–C and C-B Bond Formation Reactions: Lessons from Computational Studies, Effect of C-Donor Ligands onto Metal-Catalyzed Carbene and/or Nitrene Transfer Reactions, Chemical Bonding and Dynamic Magnetism in f-Element Organometallic Sandwich Compounds, and much more. - Contains contributions from leading authorities in the field of organometallic chemistry - Covers topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more - Informs and updates readers on the latest developments in the field
Download or read book Chemical Modelling written by Hilke Bahmann and published by Royal Society of Chemistry. This book was released on 2022-12-19 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.
Download or read book Chirogenesis In Chemical Science written by Victor Borovkov and published by World Scientific. This book was released on 2022-12-28 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chirogenesis in Chemical Science is an exciting new book that takes readers inside the world of chirality and chirogenesis, guided by Victor Borovkov and Riina Aav, both internationally renowned experts on chirality. Chirality is a fundamental property of the universe and has significance in different organic/inorganic materials, living organisms, and human beings. The basic principle of chirality is existence of an object in two mirror image forms, which are not superimposable. This phenomenon is widely seen in various fields of knowledge including mathematics, astronomy, physics, chemistry, biology and ranging in scale from galaxies to nuclear particles.In chemical science, chirality is generally associated with a single molecule or group of molecules, which symmetry properties belonging to the Cn or Dn point groups with the simplest example of sp3 carbon atom bonded to four different substituents. The dynamic processes of chirality generation, modulation, transfer, amplification, etc. are termed chirogenesis.This is a fast-growing and interdisciplinary field of research, which is widely seen in many natural systems (such as DNA double helix, the secondary alpha-helix structure of proteins, lipid membranes, saccharides, heme proteins, and other biological molecular objects) and various artificial systems. It is of prime importance not only for fundamental science but also for a number of practical applications in such areas as pharmacology and agrochemistry, perfumery and food industry, materials and polymer sciences, enantioselective catalysis and nonlinear optics, nanoscience and nanotechnology, molecular devices and chemical sensors, and others. Therefore, understanding the mechanisms and various influencing factors is of particular significance for smart control and further effective application of chirogenesis in chemistry.
Download or read book Metal Catalyzed Asymmetric Hydrogenation Evolution and Prospect written by and published by Academic Press. This book was released on 2021-11-23 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-Catalyzed Asymmetric Hydrogenation, Volume 68 in the Advances in Catalysis series, fills the gap between journal papers and textbooks across diverse areas of catalysis research. For more than 60 years, this series has recorded and presented the latest progress in the field of catalysis, giving the scientific community comprehensive and authoritative reviews. Chapters in this new release include Asymmetric hydrogenation of functionalized olefins, Asymmetric hydrogenation of unfunctionalized olefins or with poorly coordinative groups, Asymmetric hydrogenation of imines, Asymmetric hydrogenation of ketones, Asymmetric hydrogenation in industry, and Computational insights into metal-catalyzed asymmetric hydrogenation. This series is an invaluable and comprehensive resource for chemical engineers and chemists working in the field of catalysis in both academia and industry, with this release focusing on solid acids, surface acidity and heterogeneous acid catalysis. Contains authoritative reviews written by experts in the field Explores topics that reflect progress in the field, such as catalyst synthesis, catalyst characterization, catalytic chemistry, reaction engineering, computational chemistry and physics Provides insightful and critical articles that are fully edited to suit various backgrounds
Download or read book Advances in Heterocyclic Chemistry written by Eric F.V. Scriven and published by Elsevier. This book was released on 2023-02-07 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Heterocyclic Chemistry, Volume 139, the latest release in this definitive series on the field of heterocyclic chemistry, combines descriptive synthetic chemistry and mechanistic insights to yield an understanding on how chemistry drives the preparation and useful properties of heterocyclic compounds. Topics in this new release include Application of the Fischer indole synthesis in medicinal chemistry, Oxindole Synthesis via C-H Activation Methods, Ring-Closing Metathesis in the Synthesis of Fused Indole Structures, Synthesis of fuller heterocycles, The Literature of Heterocyclic Chemistry, Part XX, 2020, and Heterocyclic Zwitterions Based on Coupled Polymethines. - Presents what is considered to be the definitive serial in the field of heterocyclic chemistry - Serves as the go-to reference for organic chemists, polymer chemists and many biological scientists - Provides the latest comprehensive reviews written by established authorities in the field - Combines descriptive synthetic chemistry and mechanistic insights to enhance understanding on how chemistry drives the preparation and useful properties of heterocyclic compounds
Download or read book Organometallic Modeling of the Hydrodesulfurization and Hydrodenitrogenation Reactions written by Robert A. Sánchez-Delgado and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: The fields of hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) continue to attract the attention of researchers in the various disciplines connected to these fascinating problems that represent two of the key outstanding chemical challenges for the petroleum refining industry in view of their very strong environmental and commercial implications. One area that has flourished impressively over the last 15 years is the organometallic chemistry of thiophenes and other related sulfur-containing molecules. This has become a powerful method for modeling numerous surface species and reactions implicated in HDS schemes, and nowadays it represents an attractive complement to the standard procedures of surface chemistry and heterogeneous catalysis, for understanding the complex reaction mechanisms involved in this process. Similar developments have begun to appear in connection with HDN mechanisms, although in a much more modest scale and depth. Some years ago when, encouraged by Prof. B. R. James, this book was planned, several excellent reviews and monographs treating different aspects of HDS were already available including some on the subject of organometallic models. However, it seemed appropriate to try to summarize the most striking features of this chemistry in an updated and systematic way, and inasmuch as possible in connection with the common knowledge and beliefs of the mechanisms of heterogeneous HDS catalysis. Hopefully, this attempt to build some conceptual bridges between these two traditionally separated areas of chemistry has met with some success.
Download or read book Computational Insights into Catalytic Transformations written by Maria Biosca and published by Elsevier. This book was released on 2024-10-05 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Insights into Catalytic Transformations, Volume 75 in the Advances in Catalysis series, highlights new advances in the field, with this new volume presenting interesting chapters on topics including Quantum Chemical Investigations on Electrophilic F/CF3/SCF3 Transfer Hypervalent Iodine Reagents, Combining DFT and experimental studies in enantioselective catalysis. From rationalization to prediction, Molecular Modelling of encapsulation and reactivity within metallocages, On the role of computational chemistry in the design of artificial metalloenzymes, and Computational Modelling of Catalytic Oxidation Reactions with H2O2 promoted by transition metal-substituted polyoxometalates. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Catalysis serials - Updated release includes the latest information in the field
Download or read book New Directions in Organic Electrochemistry written by Electrochemical Society. Organic and Biological Electrochemistry Division and published by The Electrochemical Society. This book was released on 2000 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Mechanisms of Reactions of Organometallic Compounds with Surfaces written by D.J. Cole-Hamilton and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: A NATO Advanced Research Workshop on the "Mechanisms of Reactions of Organometallic Compounds with Surfaces" was held in St. Andrews, Scotland in June 1988. Many of the leading international researchers in this area were present at the workshop and all made oral presentations of their results. In addition, significant amounts of time were set aside for Round Table discussions, in which smaller groups considered the current status of mechanistic knowledge, identified areas of dispute or disagreement, and proposed experiments that need to be carried out to resolve such disputes so as to advance our understanding of this important research area. All the papers presented at the workshop are collected in this volume, together with summaries of the conclusions reached at the Round Table discussions. The workshop could not have taken place without financial support from NATO, and donations were also received from Associated Octel, Ltd., STC Ltd., and Epichem Ltd., for which the organisers are very grateful. The organisation of the meeting was greatly assisted by Mrs G. MacArthur and Mr L.R. Dunley of the Chemistry Department, St. Andrews University.
Download or read book Model Systems in Catalysis written by Robert Rioux and published by Springer Science & Business Media. This book was released on 2009-11-11 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an excellent compilation of cutting-edge research in heterogeneous catalysis and related disciplines – surface science, organometallic catalysis, and enzymatic catalysis. In 23 chapters by noted experts, the volume demonstrates varied approaches using model systems and their successes in understanding aspects of heterogeneous catalysis, both metal- and metal oxide-based catalysis in extended single crystal and nanostructured catalytic materials. To truly appreciate the astounding advances of modern heterogeneous catalysis, let us first consider the subject from a historical perspective. Heterogeneous catalysis had its beginnings in England and France with the work of scientists such as Humphrey Davy (1778–1829), Michael Faraday (1791–1867), and Paul Sabatier (1854–1941). Sabatier postulated that surface compounds, si- lar to those familiar in bulk to chemists, were the intermediate species leading to catalytic products. Sabatier proposed, for example, that NiH moieties on a Ni sur- 2 face were able to hydrogenate ethylene, whereas NiH was not. In the USA, Irving Langmuir concluded just the opposite, namely, that chemisorbed surface species are chemically bound to surfaces and are unlike known molecules. These chemisorbed species were the active participants in catalysis. The equilibrium between gas-phase molecules and adsorbed chemisorbed species (yielding an adsorption isotherm) produced a monolayer by simple site-filling kinetics.
Download or read book New Directions in Solid State Chemistry written by C. N. R. Rao and published by Cambridge University Press. This book was released on 1997-02-28 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the new edition of this widely praised textbook, all the chapters have been revised and the authors have brought the work completely up to date by the addition of new material on numerous topics. In recent years, solid state chemistry has emerged as a very important element of mainstream chemistry and materials science. Students, teachers and researchers need to understand the chemistry of solids because of the crucial role this plays in determining the properties of materials. An understanding of solid state chemistry is also essential in materials design, and many fascinating relationships between the structure and properties of solids have been discovered by chemists. This text requires only an understanding of basic physics, chemistry and crystallography, and is enhanced with the most recent examples, case studies and references. It will be of value to advanced students and researchers studying solid state chemistry and materials science as a text and reference work.
Download or read book Advances in Inorganic Chemistry and Radiochemistry written by and published by Academic Press. This book was released on 1980-08-21 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Inorganic Chemistry and Radiochemistry
Download or read book Fundamentals of Organometallic Catalysis written by Dirk Steinborn and published by John Wiley & Sons. This book was released on 2011-11-30 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clearly structured and written with advanced undergraduate, graduate and PhD students in mind, this English edition of a successful German textbook not only focuses on organic reactions, but also on bio-relevant reactions. Important aspects of the catalytic mechanisms are discussed in detail while much additional information is also provided, such as industrial applications of the processes covered. With its many questions and answers included in all chapters at different knowledge levels, this book is also ideal for self-testing before exams.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Current Programs written by and published by . This book was released on 1976 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
