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Theoretical Studies Of The First Row Transition Metals
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Book Synopsis Chemistry of the First Row Transition Metals by : Jon McCleverty
Download or read book Chemistry of the First Row Transition Metals written by Jon McCleverty and published by OUP Oxford. This book was released on 1999-01-28 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: The transition metals titanium, vanadium, chromium, manganese, iron, cobalt, nickel and copper are essential for many life-processes, are at the heart of important industrial processes, and are used in everyday life. Their properties are dependent on the electronic structure of the metals. The connection between this and the chemical behaviour of these metals is described in this book.
Book Synopsis A Theoretical Study of the Electronic Structure of Transition-metal Complexes by : James W. Richardson
Download or read book A Theoretical Study of the Electronic Structure of Transition-metal Complexes written by James W. Richardson and published by . This book was released on 1956 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :Piet W.N.M. van Leeuwen Publisher :Springer Science & Business Media ISBN 13 :9401104751 Total Pages :219 pages Book Rating :4.4/5 (11 download)
Book Synopsis Theoretical Aspects of Homogeneous Catalysis by : Piet W.N.M. van Leeuwen
Download or read book Theoretical Aspects of Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations. For researchers and advanced graduate students whose work involves organometallics and catalysis.
Book Synopsis Theoretical Biochemistry by : Leif A. Eriksson
Download or read book Theoretical Biochemistry written by Leif A. Eriksson and published by Elsevier. This book was released on 2001-02-19 with total page 719 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Book Synopsis Organometallic Bonding and Reactivity by : J.M. Brown
Download or read book Organometallic Bonding and Reactivity written by J.M. Brown and published by Springer. This book was released on 2003-07-01 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: The making and breaking of carbon-metal bonds is fundamental to all the processes of organometallic chemistry and metal mediated homogeneous or heterogeneous catalysis. The ever expanding scope of highly specific stoichiometric and catalytic transformations or organic substrates involving metals requires a thorough physical and theoretical understanding of fundamental principles of organometallic structure and reactivity. Diffraction experiments form the basis of tailoring the molecular architecture of organometallic compounds for specific functions. Mass spectrometric techniques possess the power to provide direct information on the energetics of transient species generated in the gas-phase. Computational chemistry with ab initio or density functional methods make a reliable numerical assessment of structures and (relative) energies increasingly feasible. Embedding methods, combining quantum chemistry with force field of semiempirical MO treatments, quantum dynamic studies and the computational modelling of solvent effects extend the utility of the basic methods. This volume in the series Topics in Organometallic Chemistry presents a survey by renowned experts of important experimental and theoretical developments to elucidate basic aspects of bonding, energetics, reaction mechanisms, molecular geometries and solid-state structures of organometallic compounds. Written by authors with frontier research expertise in their fields, both experimental and quantum chemical techniques, methodologies, results and interpretations are detailed in a manner suitable for the non-specialist, who seeks state-of-the-art information in the respective field.
Book Synopsis Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters by : Takayuki Ebata
Download or read book Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters written by Takayuki Ebata and published by Springer. This book was released on 2019-08-02 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.
Book Synopsis Organometallic Chemistry by : E W Abel
Download or read book Organometallic Chemistry written by E W Abel and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Theoretical Geochemistry by : John A. Tossell
Download or read book Theoretical Geochemistry written by John A. Tossell and published by Oxford University Press. This book was released on 1992-03-19 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work is based on the observation that further major advances in geochemistry, particularly in understanding the rules that govern the ways in which elements come together to form minerals and rocks, will require the application of the theories of quantum mechanics. The book therefore outlines this theoretical background and discusses the models used to describe bonding in geochemical systems. It is the first book to describe and critically review the application of quantum mechanical theories to minerals and geochemical systems. The book consolidates valuable findings from chemistry and materials science as well as mineralogy and geochemistry, and the presentation has relevance to professionals in a wide range of disciplines. Experimental techniques are surveyed, but the emphasis is on applying theoretical tools to various groups of minerals: the oxides, silicates, carbonates, borates, and sulfides. Other topics dealt with in depth include structure, stereochemistry, bond strengths and stabilities of minerals, various physical properties, and the overall geochemical distribution of the elements.
Book Synopsis Combustion Emissions by : Keith Schofield
Download or read book Combustion Emissions written by Keith Schofield and published by Academic Press. This book was released on 2020-01-10 with total page 613 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combustion Emissions: Formation, Reaction, and Removal of Trace Metals in Combustion Products presents the latest scientific knowledge on combustion, with a particular focus on the behavior of elements in this high temperature method of energy generation. The book describes methods of control and establishes a solid base of understanding for future research. Encyclopedic in style and consistent in format, each chapter systematically presents a complete analysis of the combustion behavior of each element and guides the reader in resolving specific problems. This includes source levels in fuels and fuel usage, emission and pollutant release into the environment and environmental effects, and more. Societal impacts and environmental concerns are considered throughout, highlighting sustainability aspects across a diverse range of applications, such as within power plants, automobiles and propulsion. - Presents the latest research in a very systematic way - Includes methods of control and establishes a base of understanding for future research in energy systems - Analyzes the individual behavior of 34 elements, considering their chemistry, nature and environmental impacts
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 1984 with total page 1278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Relativistic Theory of Atoms and Molecules III by : Pekka Pyykkö
Download or read book Relativistic Theory of Atoms and Molecules III written by Pekka Pyykkö and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: Relativistic effects are of major importance for understanding the properties of heavier atoms and molecules. Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the only available bibliography on related calculations. In Volume III, 3792 new references covering 1993-1999 are added to the database. The material is characterized by an analysis of the respective papers. The volume gives the user a comprehensive bibliography on relativistic atomic and molecular calculations, including studies on the Dirac equation and related solid-state work.
Download or read book Computational Chemistry written by and published by Academic Press. This book was released on 2019-02-20 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals. - Features comprehensive reviews on the latest developments in computational studies in inorganic chemistry - Includes contributions from leading experts in the field of inorganic reaction mechanisms - Serves as an indispensable reference to advanced researchers in many related fields
Book Synopsis Advances in Metal and Semiconductor Clusters by : M.A. Duncan
Download or read book Advances in Metal and Semiconductor Clusters written by M.A. Duncan and published by Elsevier. This book was released on 1998-07-27 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cluster Materials is the fourth volume of the highly successful series Advances in Metal and Semiconductor Clusters. In this volume the focus is on the properties of clusters which determine their potential applications as new materials. Metal and semiconductor clusters have been proposed as precursors for materials or as actual materials since the earliest days of cluster research. In the last few years, a variety of techniques have made it possible to produce clusters in sizes varying from a few atoms up to several thousand atoms. While some measurements are performed in the gas phase on non-isolated clusters, many cluster materials can now be isolated in macroscopic quantities and more convenient studies of their properties become possible. In this volume the authors focus on measurement of optical, electronic, magnetic, chemical and mechanical properties of clusters or of cluster assemblies. All of these properties must fall into acceptable ranges of behaviour before useful materials composed of clusters can be put into practical applications. As evidenced by the various work described here, the realisation of practical products based on cluster materials seems to be approaching rapidly.
Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Not only a major reference work for sale to the library market, this series is now receiving an increase in purchases by individuals. This increase is due to the explosive growth in the use of computational chemistry throughout many scientific disciplines As each volume does not follow a singular theme, the table of contents is a vital tool in the defining the areas examined by a volume The series contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers, and other information that every chemist will find useful Detailed author and subject indices on each volume help the reader to quickly discover particular topics Uniting the most respected authors in their fields, the series is designed to help the reader stay abreast of the many new developments in computational techniques The chapters are approached in a tutorial manner and wirtten in a non-mathematical style allowing students and researches to access computational methods outside their immediate area of expertise
Book Synopsis Physical Inorganic Chemistry by : Andreja Bakac
Download or read book Physical Inorganic Chemistry written by Andreja Bakac and published by John Wiley & Sons. This book was released on 2010-04-22 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Inorganic Chemistry contains the fundamentals of physical inorganic chemistry, including information on reaction types, and treatments of reaction mechanisms. Additionally, the text explores complex reactions and processes in terms of energy, environment, and health. This valuable resource closely examines mechanisms, an under-discussed topic. Divided into two sections, researchers, professors, and students will find the wide range of topics, including the most cutting edge topics in chemistry, like the future of solar energy, catalysis, environmental issues, climate changes atmosphere, and human health, essential to understanding chemistry.
Book Synopsis Spin States in Biochemistry and Inorganic Chemistry by : Marcel Swart
Download or read book Spin States in Biochemistry and Inorganic Chemistry written by Marcel Swart and published by John Wiley & Sons. This book was released on 2015-09-22 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Issues in Chemistry and General Chemical Research: 2011 Edition by :
Download or read book Issues in Chemistry and General Chemical Research: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 10508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
