New Directions In The Modeling Of Organometallic Reactions
DOWNLOAD
Download New Directions In The Modeling Of Organometallic Reactions PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get New Directions In The Modeling Of Organometallic Reactions book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
New Directions In The Modeling Of Organometallic Reactions
DOWNLOAD
Author : Agustí Lledós
language : en
Publisher: Springer Nature
Release Date : 2020-11-05
New Directions In The Modeling Of Organometallic Reactions written by Agustí Lledós and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-05 with Science categories.
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
DOWNLOAD
Author : Piet W.N.M. van Leeuwen
language : en
Publisher: John Wiley & Sons
Release Date : 2022-05-31
Supramolecular Catalysis written by Piet W.N.M. van Leeuwen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-31 with Technology & Engineering categories.
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
DOWNLOAD
Author : Dr Hilke Bahmann
language : en
Publisher: Royal Society of Chemistry
Release Date : 2022-12-19
Chemical Modelling Volume 17 written by Dr Hilke Bahmann and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-19 with Science categories.
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
DOWNLOAD
Author : Victor Borovkov
language : en
Publisher: World Scientific
Release Date : 2022-12-28
Chirogenesis In Chemical Science written by Victor Borovkov and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-28 with Science categories.
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
DOWNLOAD
Author :
language : en
Publisher: Academic Press
Release Date : 2021-11-23
Metal Catalyzed Asymmetric Hydrogenation Evolution And Prospect written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-23 with Science categories.
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
DOWNLOAD
Author : Eric F.V. Scriven
language : en
Publisher: Elsevier
Release Date : 2023-02-07
Advances In Heterocyclic Chemistry written by Eric F.V. Scriven and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-02-07 with Science categories.
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
DOWNLOAD
Author : Robert A. Sánchez-Delgado
language : en
Publisher: Springer Science & Business Media
Release Date : 2002-04-30
Organometallic Modeling Of The Hydrodesulfurization And Hydrodenitrogenation Reactions written by Robert A. Sánchez-Delgado and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-04-30 with Science categories.
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.
Organometallic Modeling Of The Hydrodesulfurization And Hydrodenitrogenation Reactions
DOWNLOAD
Author : Robert A. Sánchez-Delgado
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
Organometallic Modeling Of The Hydrodesulfurization And Hydrodenitrogenation Reactions written by Robert A. Sánchez-Delgado and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-11 with Science categories.
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
DOWNLOAD
Author :
language : en
Publisher: Academic Press
Release Date : 2022-06-29
Advances In Organometallic Chemistry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-29 with Science categories.
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
Mechanisms Of Reactions Of Organometallic Compounds With Surfaces
DOWNLOAD
Author : D.J. Cole-Hamilton
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Mechanisms Of Reactions Of Organometallic Compounds With Surfaces written by D.J. Cole-Hamilton and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-11 with Science categories.
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.