A Computational Study Of Single Ligand Complexes Of First Row Transition Metals

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Machine Learning in Chemistry

Author : Jon Paul Janet
Publisher : American Chemical Society
ISBN 13 : 0841299005
Total Pages : 189 pages
Book Rating : 4.8/5 (412 download)

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Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet

Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important

Pincer Compounds

Author : David Morales-Morales
Publisher : Elsevier
ISBN 13 : 0128129328
Total Pages : 756 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Pincer Compounds by : David Morales-Morales

Download or read book Pincer Compounds written by David Morales-Morales and published by Elsevier. This book was released on 2018-04-11 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pincer Compounds: Chemistry and Applications offers valuable state-of-the-art coverage highlighting highly active areas of research—from mechanistic work to synthesis and characterization. The book focuses on small molecule activation chemistry (particularly H2 and hydrogenation), earth abundant metals (such as Fe), actinides, carbene-pincers, chiral catalysis, and alternative solvent usage. The book covers the current state of the field, featuring chapters from renowned contributors, covering four continents and ranging from still-active pioneers to new names emerging as creative strong contributors to this fascinating and promising area. Over a decade since the publication of Morales-Morales and Jensen's The Chemistry of Pincer Compounds (Elsevier 2007), research in this unique area has flourished, finding a plethora of applications in almost every single branch of chemistry—from their traditional application as very robust and active catalysts all the way to potential biological and pharmaceutical applications. - Describes the chemistry and applications of this important class of organometallic and coordination compounds - Includes contributions from global leaders in the field, featuring pioneers in the area as well as emerging experts conducting exciting research on pincer complexes - Highlights areas of promising and active research, including small molecule activation, earth abundant metals, and actinide chemistry

Reviews in Computational Chemistry

Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126124
Total Pages : 346 pages
Book Rating : 4.4/5 (71 download)

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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

Australian Journal of Physics

Author :
Publisher :
ISBN 13 :
Total Pages : 506 pages
Book Rating : 4.5/5 (822 download)

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Book Synopsis Australian Journal of Physics by :

Download or read book Australian Journal of Physics written by and published by . This book was released on 2000 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dissertation Abstracts International

Author :
Publisher :
ISBN 13 :
Total Pages : 886 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Dissertation Abstracts International by :

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2006 with total page 886 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Handbook of Computational Chemistry

Author : Jerzy Leszczynski
Publisher : Springer Science & Business Media
ISBN 13 : 940070710X
Total Pages : 1451 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Handbook of Computational Chemistry by : Jerzy Leszczynski

Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-14 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.

Contemporary Metal Boron Chemistry I

Author : Todd B. Marder
Publisher : Springer Science & Business Media
ISBN 13 : 3540786333
Total Pages : 227 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Contemporary Metal Boron Chemistry I by : Todd B. Marder

Download or read book Contemporary Metal Boron Chemistry I written by Todd B. Marder and published by Springer Science & Business Media. This book was released on 2008-07-11 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: With information that will remain valid for years, this series presents critical reviews of the present position and future trends in modern research into chemical structure and bonding. It features concise reports, each written by world-renowned experts.

Handbook on Metalloproteins

Author : Ivano Bertini
Publisher : CRC Press
ISBN 13 : 9780824705206
Total Pages : 1382 pages
Book Rating : 4.7/5 (52 download)

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Book Synopsis Handbook on Metalloproteins by : Ivano Bertini

Download or read book Handbook on Metalloproteins written by Ivano Bertini and published by CRC Press. This book was released on 2001-06-29 with total page 1382 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Handbook on Metalloproteins focuses on the available structural information of proteins and their metal ion coordination spheres. It centers on the metal ions indispensable for life but also considers metal ions used as substitution probes in studies of metalloproteins. Emphasizing the structure-function relationship, the book covers the common and distinct characterstics of metallo- enzymes, proteins, and amino acids bonded to copper, zinc, iron, and more.

Electron Paramagnetic Resonance

Author : Bruce C. Gilbert
Publisher : Royal Society of Chemistry
ISBN 13 : 1849731683
Total Pages : 334 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Electron Paramagnetic Resonance by : Bruce C. Gilbert

Download or read book Electron Paramagnetic Resonance written by Bruce C. Gilbert and published by Royal Society of Chemistry. This book was released on 2012-11 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Paramagnetic Resonance (EPR) highlights major developments in this area, with results being set into the context of earlier work and presented as a set of critical yet coherent overviews. The topics covered describe contrasting types of application, ranging from biological areas such as EPR studies of free-radical reactions in biology and medically-related systems, to experimental developments and applications involving EPR imaging, the use of very high fields, and time-resolved methods. Critical and up-to-the-minute reviews of advances involving the design of spin-traps, advances in spin-labelling, paramagnetic centres on solid surfaces, exchange-coupled oligomers, metalloproteins and radicals in flavoenzymes are also included. As EPR continues to find new applications in virtually all areas of modern science, including physics, chemistry, biology and materials science, this series caters not only for experts in the field, but also those wishing to gain a general overview of EPR applications in a given area.

Computational Chemistry Methods

Author : Ponnadurai Ramasami
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110631628
Total Pages : 194 pages
Book Rating : 4.1/5 (16 download)

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Book Synopsis Computational Chemistry Methods by : Ponnadurai Ramasami

Download or read book Computational Chemistry Methods written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-08-10 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Non-Noble Metal Catalysis

Author : Robertus J. M. Klein Gebbink
Publisher : John Wiley & Sons
ISBN 13 : 3527340610
Total Pages : 610 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Non-Noble Metal Catalysis by : Robertus J. M. Klein Gebbink

Download or read book Non-Noble Metal Catalysis written by Robertus J. M. Klein Gebbink and published by John Wiley & Sons. This book was released on 2019-04-29 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: An expert overview of current research, applications, and economic and environmental advantages The study and development of new homogeneous catalysts based on first-row metals (Mn, Fe, Co, Ni, and Cu) has grown significantly due to the economic and environmental advantages that non-noble metals present. Base metals offer reduced cost, greater supply, and lower toxicity levels than noble metals?enabling greater opportunity for scientific investigation and increased development of practical applications. Non-Noble Metal Catalysis provides an authoritative survey of the field, from fundamental concepts and computational methods to industrial applications and reaction classes. Recognized experts in organometallic chemistry and homogeneous catalysis, the authors present a comprehensive overview of the conceptual and practical aspects of non-noble metal catalysts. Examination of topics including non-innocent ligands, proton-coupled electron transfer, and multi-nuclear complexes provide essential background information, while areas such as kinetic lability and lifetimes of intermediates reflect current research and shifting trends in the field. This timely book demonstrates the efficacy of base metal catalysts in the pharmaceutical, fine-chemical, and agrochemical industries, addressing both environmental and economic concerns. Providing essential conceptual and practical exploration, this valuable resource: -Illustrates how unravelling new reactivity patterns can lead to new catalysts and new applications -Highlights the multiple advantages of using non-noble metals in homogenous catalysis -Demonstrates how the availability of non-noble metal catalysis reduces costs and leads to immense savings for the chemical industry -Reveals how non-noble metal catalysis are more sustainable than noble metals such as palladium or platinum Non-Noble Metal Catalysis: Molecular Approaches and Reactions is an indispensable source of up-to-date information for catalytic chemists, organic chemists, industrial chemists, organometallic chemists, and those seeking to broaden their knowledge of catalytic chemistry.

NOx Related Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 0128018372
Total Pages : 388 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis NOx Related Chemistry by :

Download or read book NOx Related Chemistry written by and published by Academic Press. This book was released on 2015-01-08 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: NOx Related Chemistry is a volume of a series that presents 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. - Best-qualified scientists write on their own recent results dealing with basic fundamentals of NO-chemistry, with an eye into biological and environmental issues - Editors and authors are recognized scientists in the field - Features comprehensive reviews on the latest developments - An indispensable reference to advanced researchers

Photo- and Electro-Catalytic Processes

Author : Jianmin Ma
Publisher : John Wiley & Sons
ISBN 13 : 352734859X
Total Pages : 596 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Photo- and Electro-Catalytic Processes by : Jianmin Ma

Download or read book Photo- and Electro-Catalytic Processes written by Jianmin Ma and published by John Wiley & Sons. This book was released on 2022-01-25 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore green catalytic reactions with this reference from a renowned leader in the field Green reactions—like photo-, photoelectro-, and electro-catalytic reactions—offer viable technologies to solve difficult problems without significant damage to the environment. In particular, some gas-involved reactions are especially useful in the creation of liquid fuels and cost-effective products. In Photo- and Electro-Catalytic Processes: Water Splitting, N2 Fixing, CO2 Reduction, award-winning researcher Jianmin Ma delivers a comprehensive overview of photo-, electro-, and photoelectron-catalysts in a variety of processes, including O2 reduction, CO2 reduction, N2 reduction, H2 production, water oxidation, oxygen evolution, and hydrogen evolution. The book offers detailed information on the underlying mechanisms, costs, and synthetic methods of catalysts. Filled with authoritative and critical information on green catalytic processes that promise to answer many of our most pressing energy and environmental questions, this book also includes: Thorough introductions to electrocatalytic oxygen reduction and evolution reactions, as well as electrocatalytic hydrogen evolution reactions Comprehensive explorations of electrocatalytic water splitting, CO2 reduction, and N2 reduction Practical discussions of photoelectrocatalytic H2 production, water splitting, and CO2 reduction In-depth examinations of photoelectrochemical oxygen evolution and nitrogen reduction Perfect for catalytic chemists and photochemists, Photo- and Electro-Catalytic Processes: Water Splitting, N2 Fixing, CO2 Reduction also belongs in the libraries of materials scientists and inorganic chemists seeking a one-stop resource on the novel aspects of photo-, electro-, and photoelectro-catalytic reactions.

Spin States in Biochemistry and Inorganic Chemistry

Author : Marcel Swart
Publisher : John Wiley & Sons
ISBN 13 : 1118898303
Total Pages : 472 pages
Book Rating : 4.1/5 (188 download)

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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 2015-09-17 with total page 472 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.

Computing Handbook, Third Edition

Author : Teofilo Gonzalez
Publisher : CRC Press
ISBN 13 : 1439898529
Total Pages : 2330 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Computing Handbook, Third Edition by : Teofilo Gonzalez

Download or read book Computing Handbook, Third Edition written by Teofilo Gonzalez and published by CRC Press. This book was released on 2014-05-07 with total page 2330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computing Handbook, Third Edition: Computer Science and Software Engineering mirrors the modern taxonomy of computer science and software engineering as described by the Association for Computing Machinery (ACM) and the IEEE Computer Society (IEEE-CS). Written by established leading experts and influential young researchers, the first volume of this popular handbook examines the elements involved in designing and implementing software, new areas in which computers are being used, and ways to solve computing problems. The book also explores our current understanding of software engineering and its effect on the practice of software development and the education of software professionals. Like the second volume, this first volume describes what occurs in research laboratories, educational institutions, and public and private organizations to advance the effective development and use of computers and computing in today’s world. Research-level survey articles provide deep insights into the computing discipline, enabling readers to understand the principles and practices that drive computing education, research, and development in the twenty-first century.

Transition Metals in Coordination Environments

Author : Ewa Broclawik
Publisher : Springer
ISBN 13 : 3030117146
Total Pages : 540 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Transition Metals in Coordination Environments by : Ewa Broclawik

Download or read book Transition Metals in Coordination Environments written by Ewa Broclawik and published by Springer. This book was released on 2019-03-16 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.

The Organometallic Chemistry of the Transition Metals

Author : Robert H. Crabtree
Publisher : John Wiley & Sons
ISBN 13 : 0471718750
Total Pages : 600 pages
Book Rating : 4.4/5 (717 download)

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Book Synopsis The Organometallic Chemistry of the Transition Metals by : Robert H. Crabtree

Download or read book The Organometallic Chemistry of the Transition Metals written by Robert H. Crabtree and published by John Wiley & Sons. This book was released on 2005-06-14 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fully updated and expanded to reflect recent advances, this Fourth Edition of the classic text provides students and professional chemists with an excellent introduction to the principles and general properties of organometallic compounds, as well as including practical information on reaction mechanisms and detailed descriptions of contemporary applications.