New Directions In The Modeling Of Organometallic Reactions

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New Directions in the Modeling of Organometallic Reactions

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Author : Agustí Lledós
Publisher : Springer Nature
ISBN 13 : 3030569969
Total Pages : 276 pages
Book Rating : 4.0/5 (35 download)

Book Synopsis New Directions in the Modeling of Organometallic Reactions by : Agustí Lledós

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.

Supramolecular Catalysis

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Author : Piet W.N.M. van Leeuwen
Publisher : John Wiley & Sons
ISBN 13 : 3527349022
Total Pages : 708 pages
Book Rating : 4.5/5 (273 download)

Book Synopsis Supramolecular Catalysis by : Piet W.N.M. van Leeuwen

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.

Chemical Modelling Volume 17

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Author : Dr Hilke Bahmann
Publisher : Royal Society of Chemistry
ISBN 13 : 1839167416
Total Pages : 217 pages
Book Rating : 4.8/5 (391 download)

Book Synopsis Chemical Modelling Volume 17 by : Dr Hilke Bahmann

Download or read book Chemical Modelling Volume 17 written by Dr 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.

Chirogenesis In Chemical Science

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Author : Victor Borovkov
Publisher : World Scientific
ISBN 13 : 9811259232
Total Pages : 520 pages
Book Rating : 4.8/5 (112 download)

Book Synopsis Chirogenesis In Chemical Science by : Victor Borovkov

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.

Metal-Catalyzed Asymmetric Hydrogenation. Evolution and Prospect

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Author :
Publisher : Academic Press
ISBN 13 : 0128245700
Total Pages : 438 pages
Book Rating : 4.1/5 (282 download)

Book Synopsis Metal-Catalyzed Asymmetric Hydrogenation. Evolution and Prospect by :

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

Advances in Heterocyclic Chemistry

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Author : Eric F.V. Scriven
Publisher : Elsevier
ISBN 13 : 0443193150
Total Pages : 296 pages
Book Rating : 4.4/5 (431 download)

Book Synopsis Advances in Heterocyclic Chemistry by : Eric F.V. Scriven

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

Organometallic Modeling of the Hydrodesulfurization and Hydrodenitrogenation Reactions

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Author : Robert A. Sánchez-Delgado
Publisher : Springer Science & Business Media
ISBN 13 : 1402005350
Total Pages : 223 pages
Book Rating : 4.4/5 (2 download)

Book Synopsis Organometallic Modeling of the Hydrodesulfurization and Hydrodenitrogenation Reactions by : Robert A. Sánchez-Delgado

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 2002-04-30 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.

Advances in Organometallic Chemistry

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Author :
Publisher : Academic Press
ISBN 13 : 0323990916
Total Pages : 244 pages
Book Rating : 4.3/5 (239 download)

Book Synopsis Advances in Organometallic Chemistry by :

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

Organometallic Modeling of the Hydrodesulfurization and Hydrodenitrogenation Reactions

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Author : Robert A. Sánchez-Delgado
Publisher : Springer Science & Business Media
ISBN 13 : 0306476193
Total Pages : 223 pages
Book Rating : 4.3/5 (64 download)

Book Synopsis Organometallic Modeling of the Hydrodesulfurization and Hydrodenitrogenation Reactions by : Robert A. Sánchez-Delgado

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.

New Directions in Organic Electrochemistry

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Author : Electrochemical Society. Organic and Biological Electrochemistry Division
Publisher : The Electrochemical Society
ISBN 13 : 9781566772808
Total Pages : 194 pages
Book Rating : 4.7/5 (728 download)

Book Synopsis New Directions in Organic Electrochemistry by : Electrochemical Society. Organic and Biological Electrochemistry Division

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:

Mechanisms of Reactions of Organometallic Compounds with Surfaces

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Author : D.J. Cole-Hamilton
Publisher : Springer Science & Business Media
ISBN 13 : 1489925228
Total Pages : 292 pages
Book Rating : 4.4/5 (899 download)

Book Synopsis Mechanisms of Reactions of Organometallic Compounds with Surfaces by : D.J. Cole-Hamilton

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.

Model Systems in Catalysis

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Author : Robert Rioux
Publisher : Springer Science & Business Media
ISBN 13 : 0387980490
Total Pages : 531 pages
Book Rating : 4.3/5 (879 download)

Book Synopsis Model Systems in Catalysis by : Robert Rioux

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.

Modeling of Chemical Reactions

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Author : R.W. Carr
Publisher : Elsevier
ISBN 13 : 008054617X
Total Pages : 317 pages
Book Rating : 4.0/5 (85 download)

Book Synopsis Modeling of Chemical Reactions by : R.W. Carr

Download or read book Modeling of Chemical Reactions written by R.W. Carr and published by Elsevier. This book was released on 2007-09-04 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. A solid introduction to kinetics Material on computational quantum chemistry, an important new area for kinetics Contains a chapter on construction of mechanisms, an approach only found in this book

New Directions in Solid State Chemistry

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Author : C. N. R. Rao
Publisher : Cambridge University Press
ISBN 13 : 9780521499071
Total Pages : 568 pages
Book Rating : 4.4/5 (99 download)

Book Synopsis New Directions in Solid State Chemistry by : C. N. R. Rao

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.

Advances in Inorganic Chemistry and Radiochemistry

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Author :
Publisher : Academic Press
ISBN 13 : 9780080578729
Total Pages : 434 pages
Book Rating : 4.5/5 (787 download)

Book Synopsis Advances in Inorganic Chemistry and Radiochemistry by :

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 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Inorganic Chemistry and Radiochemistry

Fundamentals of Organometallic Catalysis

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Author : Dirk Steinborn
Publisher : John Wiley & Sons
ISBN 13 : 3527327169
Total Pages : 475 pages
Book Rating : 4.5/5 (273 download)

Book Synopsis Fundamentals of Organometallic Catalysis by : Dirk Steinborn

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.

Scientific and Technical Aerospace Reports

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Author :
Publisher :
ISBN 13 :
Total Pages : 704 pages
Book Rating : 4.:/5 (31 download)

Book Synopsis Scientific and Technical Aerospace Reports by :

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: