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.
Download or read book Low lying Potential Energy Surfaces written by American Chemical Society. Meeting and published by . This book was released on 2002 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume examines the requirements for a well-balanced description of energetically low-lying potential energy surfaces and the phenomena that occur on them. The theoretical aspects of the volume differ from traditional theoretical symposia by focusing on multiple surfaces and regions of potential energy surfaces away from stationary points.
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2006 with total page 942 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Photochemistry and Photophysics of Earth Abundant Transition Metal Complexes written by and published by Elsevier. This book was released on 2024-05-28 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Inorganic Chemstry serial highlights new advances in the field with this new volume presenting interesting chapters. Each chapter is written by an international board of authors. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Inorganic Chemistry serials - Updated release includes the latest information on Photochemistry and Photophysics of Earth-Abundant Transition Metal Complexes
Download or read book Beyond Born Oppenheimer written by Michael Baer and published by John Wiley & Sons. This book was released on 2006-03-31 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach--diabatization--for eliminating troublesome NACTs and deriving well-converged equations to treat the interactions within and between molecules. Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics. The first book of its king Beyond Born-Oppenheimer: * Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections * Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks * Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures * Discusses various approximations for treating a large system of diabatic Schrödinger equations * Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.
Download or read book Inorganic Photochemistry written by and published by Academic Press. This book was released on 2011-07-14 with total page 461 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 Elements of Inorganic Photochemistry written by G. J. Ferraudi and published by Wiley-Interscience. This book was released on 1988-02-22 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph/reference focuses on those subjects that are considered essential to an understanding of inorganic photochemistry. Graduate students with a background in physical chemistry will find that the quantum mechanical treatments related to the principles of spectroscopy and chemical dynamics are readily accessible. And professionals will find that the tabulated data, equations, and general information makes this book an essential complement to the journal literature required in the daily planning of photochemical work. Chapters cover the nature of light and the uncertainty principle, detection of intermediates, elements of inorganic spectroscopy, kinetics of photoluminescence, photoredox reactions, ligand field photochemistry, and elements of organometallic photochemistry. Extensive appendixes cover physical constants and conversion factors for photochemical work, character tables for symmetry groups, vibrational motions, description of the chemical bonding in coordination complexes, charge transfer transitions, and Born cycles related to charge transfer processes.
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2020-11-10 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Download or read book Gas Phase Metal Reactions written by A. Fontijn and published by Elsevier. This book was released on 2017-05-04 with total page 711 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book brings together, for the first time, all aspects of reactions of metallic species in the gas phase and gives an up-to-date overview of the field. Reactions covered include those of atomic, other free radical and transient neutral species, as well as ions. Experimental and theoretical work is reviewed and the efforts to establish a closer link between these approaches are discussed. The field is mainly approached from a fundamental point-of-view, but the applied problems which have helped stimulate the interest are pointed out and form the major subject of the final chapters. These emphasize the competition between purely gas-phase and gas-surface reactions.
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
Download or read book Transition Metal and Rare Earth Compounds III written by Hartmut Yersin and published by Springer Science & Business Media. This book was released on 2004-11-18 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: With contribution by numerous experts
Download or read book Light Emitting Electrochemical Cells written by Rubén D. Costa and published by Springer. This book was released on 2017-07-31 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the recent achievements towards the next generation of Light-emitting electrochemical cells (LEC). Its first part focus on the definition, history and mechanism of LEC, going then to concepts and challenges and, finally, giving the reader examples of current application of new electroluminescent materials. The chapters are written by different international groups working on LEC.
Download or read book Lanthanide Luminescence written by Pekka Hänninen and published by Springer Science & Business Media. This book was released on 2011-06-21 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lanthanides have fascinated scientists for more than two centuries now, and since efficient separation techniques were established roughly 50 years ago, they have increasingly found their way into industrial exploitation and our everyday lives. Numerous applications are based on their unique luminescent properties, which are highlighted in this volume. It presents established knowledge about the photophysical basics, relevant lanthanide probes or materials, and describes instrumentation-related aspects including chemical and physical sensors. The uses of lanthanides in bioanalysis and medicine are outlined, such as assays for in vitro diagnostics and research. All chapters were compiled by renowned scientists with a broad audience in mind, providing both beginners in the field and advanced researchers with comprehensive information on on the given subject.
Download or read book Photochemistry and Photophysics of Coordination Compounds I written by Vincenzo Balzani and published by Springer. This book was released on 2007-07-31 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents critical reviews of the current position and future trends in modern chemical research. It offers short and concise reports on chemistry, each written by world renowned experts.
Download or read book Photochemistry and Photophysics of Metal Complexes written by D.M. Roundhill and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on practical applications, the author provides a balanced introduction to the many possible technological uses of metal complexes. Coverage includes the transition metals, lanthanide and actinide complexes, metal porphyrins, and many other complexes. This volume meets the needs of students and scientists in inorganic chemistry, chemical physics, and solid-state physics.
Download or read book Modern Molecular Photochemistry written by Nicholas J. Turro and published by University Science Books. This book was released on 1991 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last two decades the photochemistry of organic molecules has grown into an important and pervasive branch of organic chemistry. In Modern Molecular Photochemistry, the author brings students up to date with the advances in this field - the development of the theory of photoreactions, the utilization of photoreactions in synthetic sequences, and the advancement of powerful laser techniques to study the mechanisms of photoreactions.
