Download or read book Computational Inorganic and Bioinorganic Chemistry written by Edward I. Solomon and published by John Wiley & Sons. This book was released on 2013-02-19 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications, written by many of the leaders in the field. Part 1 of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part 2 focuses on applications in bioinorganic chemistry and Part 3 discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.

Download or read book Practical Approaches to Biological Inorganic Chemistry written by Robert R. Crichton and published by Elsevier. This book was released on 2019-09-10 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical Approaches to Biological Inorganic Chemistry, Second Edition, reviews the use of spectroscopic and related analytical techniques to investigate the complex structures and mechanisms of biological inorganic systems that contain metals. Each chapter presents an overview of the technique, including relevant theory, a clear explanation of what it is, how it works, and how the technique is actually used to evaluate biological structures. New chapters cover Raman Spectroscopy and Molecular Magnetochemistry, but all chapters have been updated to reflect the latest developments in discussed techniques. Practical examples, problems and many color figures are also included to illustrate key concepts. The book is designed for researchers and students who want to learn both the basics and more advanced aspects of key methods in biological inorganic chemistry. - Presents new chapters on Raman Spectroscopy and Molecular Magnetochemistry, as well as updated figures and content throughout - Includes color images throughout to enable easier visualization of molecular mechanisms and structures - Provides worked examples and problems to help illustrate and test the reader's understanding of each technique - Written by leading experts who use and teach the most important techniques used today to analyze complex biological structures

Download or read book Applications of Physical Methods to Inorganic and Bioinorganic Chemistry written by Robert A. Scott and published by John Wiley & Sons. This book was released on 2007-12-10 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern spectroscopic and instrumental techniques are essential to the practice of inorganic and bioinorganic chemistry. This first volume in the new Wiley Encyclopedia of Inorganic Chemistry Methods and Applications Series provides a consistent and comprehensive description of the practical applicability of a large number of techniques to modern problems in inorganic and bioinorganic chemistry. The outcome is a text that provides invaluable guidance and advice for inorganic and bioinorganic chemists to select appropriate techniques, whilst acting as a source to the understanding of these methods. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.

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.

Download or read book Theoretical and Computational Inorganic Chemistry written by Rudi van Eldik and published by Academic Press. This book was released on 2010-11-22 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced. - Features comprehensive reviews on the latest developments - Includes contributions from leading experts in the field - Serves as an indispensable reference to advanced researchers

Download or read book Computational and Data Driven Chemistry Using Artificial Intelligence written by Takashiro Akitsu and published by Elsevier. This book was released on 2021-10-08 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed. - Provides an accessible introduction to the current state and future possibilities for AI in chemistry - Explores how computational chemistry methods and approaches can both enhance and be enhanced by AI - Highlights the interdisciplinary and broad applicability of AI tools across a wide range of chemistry fields

Download or read book Encyclopedia of Inorganic Chemistry 10 Volume Set written by R. Bruce King and published by John Wiley & Sons. This book was released on 2005-10-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ultimate resource on inorganic chemistry – new and completely revised, 10 years after publication of the First Edition The first edition of the Encyclopedia of Inorganic Chemistry treated the elements of the periodic system in alphabetical order, with multiple entries for key elements. The articles from the First Edition were written more than 10 years ago and all areas of inorganic chemistry have seen such a vigorous development that it was necessary to update most articles and to add a considerable number of new articles. The result of this major work is the proud Encylopedia of Inorganic Chemistry Second Edition (EIC-2). New – now includes colour 30% growth on previous edition – now 6,640 pages, published in 10 volumes EIC-2 continues to present articles in alphabetical order, but the content has been slightly reorganized to the following subject areas: Main Group Elements; Transition Metals and Coordination Chemistry; Organometallic Chemistry; Bioinorganic Chemistry; Solid State, Materials, Nanomaterials and Catalysis; and General Inorganic Chemistry, Theoretical and Computational Methods.

Download or read book Molecular Modeling of Inorganic Compounds written by Peter Comba and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: In many branches of chemistry, Molecular Modeling is a well-established and powerful tool for the investigation of complex structures. The second completely revised and enlarged edition of this highly recognized book shows how this method can be successfully applied to inorganic and coordination compounds. The first part of the book gives a general introduction to Molecular Modeling, which will be of use for chemists in all areas. The second part discusses numerous carefully selected examples, chosen to illustrate the wide range of applicability of molecular modeling to metal complexes and the approaches being taken to dealing with some of the difficulties involved. While the general outline is similar to that of the first edition, many of the examples chosen for discussion reflect the changes of the past five years. In the third part, the reader learns how to apply Molecular Modeling to a new system and how to interpret the results. The accompanying software features 20 tutorial lessons based on examples from the literature and the book itself. The authors take special care to highlight possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to everyone working in or entering the field.

Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Download or read book Inorganic and Bio Inorganic Chemistry Volume I written by Ivano Bertini and published by EOLSS Publications. This book was released on 2009-02-10 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic and Bio-Inorganic Chemistry is the component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme on Inorganic and Bio-Inorganic Chemistry in the Encyclopedia of Chemical Sciences, Engineering and Technology Resources deals with the discipline which studies the chemistry of the elements of the periodic table. It covers the following topics: From simple to complex compounds; Chemistry of metals; Inorganic synthesis; Radicals reactions with metal complexes in aqueous solutions; Magnetic and optical properties; Inorganometallic chemistry; High temperature materials and solid state chemistry; Inorganic biochemistry; Inorganic reaction mechanisms;Homogeneous and heterogeneous catalysis; Cluster and polynuclear compounds; Structure and bonding in inorganic chemistry; Synthesis and spectroscopy of transition metal complexes; Nanosystems;Computational inorganic chemistry; Energy and inorganic chemistry. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs

Download or read book Encyclopedia of Inorganic Chemistry 5 Volume Set written by Robert A. Scott and published by Wiley. This book was released on 2012-10-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 5-Volume-Set reflects the activity of the Editorial Board of the Encyclopedia of Inorganic Chemistry (EIC) to add new topics and broaden the scope of the Encyclopedia. The first volume gives a survey on the physical methods used to characterize inorganic compounds and materials, the second volume added the hot area of inorganic nanomaterials, the third focused on computational methods used in inorganic, and especially in bioinorganic chemistry, the fourth volume added the dimension of radiochemistry and especially the fate of radionuclides in the environment and the fifth volume concentrated on inorganic chemistry as a basic science for the technological development of new fuel cells and batteries. The 5-Volume-Set consists of the following volumes: Applications of Physical Methods to Inorganic and Bioinorganic Chemistry Nanomaterials: Inorganic and Bioinorganic Perspectives Computational Inorganic and Bioinorganic Chemistry Radionuclides in the Environment Energy Production and Storage : Inorganic Chemical Strategies for a Warming World These EIC Books are not available as o-Books and e-Books. However, the complete content of these EIC Books is an integral part of EIC online for further details visit the Encyclopedia of Inorganic Chemistry on Wiley Online Library: http://onlinelibrary.wiley.com/ref/eic

Download or read book Structural Methods in Molecular Inorganic Chemistry written by D. W. H. Rankin and published by John Wiley & Sons. This book was released on 2013-01-02 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail: • computational chemistry • nuclear magnetic resonance spectroscopy • electron paramagnetic resonance spectroscopy • Mössbauer spectroscopy • rotational spectra and rotational structure • vibrational spectroscopy • electronic characterization techniques • diffraction methods • mass spectrometry The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems. Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material. Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.

Download or read book Experimental and Theoretical Approaches to Actinide Chemistry written by John K. Gibson and published by John Wiley & Sons. This book was released on 2018-03-19 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: A review of contemporary actinide research that focuses on new advances in experiment and theory, and the interplay between these two realms Experimental and Theoretical Approaches to Actinide Chemistry offers a comprehensive review of the key aspects of actinide research. Written by noted experts in the field, the text includes information on new advances in experiment and theory and reveals the interplay between these two realms. The authors offer a multidisciplinary and multimodal approach to the nature of actinide chemistry, and explore the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry. The text covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques. The authors provide contemporary overviews of each topic area presented and describe the current and anticipated experimental approaches for the field, as well as the current and future computational chemistry and materials techniques. In addition, the authors explore the combination of experiment and theory. This important resource: Provides an essential resource the reviews the key aspects of contemporary actinide research Includes information on new advances in experiment and theory, and the interplay between the two Covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques Focuses on the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry Written for academics, students, professionals and researchers, this vital text contains a thorough review of the key aspects of actinide research and explores the most recent advances in experiment and theory.

Download or read book Inorganic and Bio Inorganic Chemistry Volume II written by Ivano Bertini and published by EOLSS Publications. This book was released on 2009-02-10 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic and Bio-Inorganic Chemistry is the component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme on Inorganic and Bio-Inorganic Chemistry in the Encyclopedia of Chemical Sciences, Engineering and Technology Resources deals with the discipline which studies the chemistry of the elements of the periodic table. It covers the following topics: From simple to complex compounds; Chemistry of metals; Inorganic synthesis; Radicals reactions with metal complexes in aqueous solutions; Magnetic and optical properties; Inorganometallic chemistry; High temperature materials and solid state chemistry; Inorganic biochemistry; Inorganic reaction mechanisms;Homogeneous and heterogeneous catalysis; Cluster and polynuclear compounds; Structure and bonding in inorganic chemistry; Synthesis and spectroscopy of transition metal complexes; Nanosystems;Computational inorganic chemistry; Energy and inorganic chemistry. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs

Download or read book Physical Methods in Bioinorganic Chemistry written by Lawrence Que and published by Sterling Publishing Company. This book was released on 2000 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text provides detailed coverage of physical methods used in bioinorganic chemistry. By integrating theory with experimentation, and providing a more biological orientation, the book aims to serve as a major textbook for students of bioinorganic chemistry.

Download or read book Handbook of Metalloproteins written by Albrecht Messerschmidt and published by Wiley. This book was released on 2001-08-16 with total page 1500 pages. Available in PDF, EPUB and Kindle. Book excerpt: "it is a pleasure just to read this handsome and carefully produced work" Angewandte Chemie 2002 "...the Handbook of Metalloproteins is highly recommended as a resource for bioinorganic chemistry. It will have lasting value for researchers in the field..." The Alchemist - Chemweb In recent years, the analysis and classification of metalloproteins at the interface between chemistry and biology has accelerated. Many developments and initiatives have taken place and this two-volume handbook provides a comprehensive, yet focussed, collection of 105 major metalloproteins. Content is presented in both a large format and full colour and covers the most relevant transition metals such as Iron, Nickel, Copper, Cobalt, Molybdenum, Manganese Tungsten and Vanadium. This is the first Handbook of Metalloproteins ever published and is comprised of articles written by renowned experts in the field. It draws together contributions from over two hundred internationally renowned researchers that include: Douglas Rees and Charles Stout as well as Nobel Prize winner Robert Huber. Each contribution is presented in a similar format and shows a ribbon plot of the overall 3D Structure on their first page, a representation of the metal active site and numerous other figures and tables underpinning the remarks. Comparative information is provided on different proteins and every entry has been extensively referenced to current literature. * First comprehensive handbook to cover the major metalloproteins * Presents structural and functional data in an organised manner * Incorporates full-colour representation of molecular structures throughout * Unifies information from molecular biology, enzymology, spectroscopy, biochemistry, chemistry, biophysics, macromolecular crystallography and structural biology * Includes comprehensive sections that cover: Functional Class, Occurrence, Amino Acid Sequence Information, Protein Production, Purification and Molecular Characterisation, Metal Content and Cofactors, Activity Test, Spectroscopy, 3D Structure, Functional Aspects.

Download or read book Comprehensive Inorganic Chemistry II written by and published by Newnes. This book was released on 2013-07-23 with total page 7694 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Inorganic Chemistry II, Nine Volume Set reviews and examines topics of relevance to today’s inorganic chemists. Covering more interdisciplinary and high impact areas, Comprehensive Inorganic Chemistry II includes biological inorganic chemistry, solid state chemistry, materials chemistry, and nanoscience. The work is designed to follow on, with a different viewpoint and format, from our 1973 work, Comprehensive Inorganic Chemistry, edited by Bailar, Emeléus, Nyholm, and Trotman-Dickenson, which has received over 2,000 citations. The new work will also complement other recent Elsevier works in this area, Comprehensive Coordination Chemistry and Comprehensive Organometallic Chemistry, to form a trio of works covering the whole of modern inorganic chemistry. Chapters are designed to provide a valuable, long-standing scientific resource for both advanced students new to an area and researchers who need further background or answers to a particular problem on the elements, their compounds, or applications. Chapters are written by teams of leading experts, under the guidance of the Volume Editors and the Editors-in-Chief. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource for information in the field. The chapters will not provide basic data on the elements, which is available from many sources (and the original work), but instead concentrate on applications of the elements and their compounds. Provides a comprehensive review which serves to put many advances in perspective and allows the reader to make connections to related fields, such as: biological inorganic chemistry, materials chemistry, solid state chemistry and nanoscience Inorganic chemistry is rapidly developing, which brings about the need for a reference resource such as this that summarise recent developments and simultaneously provide background information Forms the new definitive source for researchers interested in elements and their applications; completely replacing the highly cited first edition, which published in 1973