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Author : Elspeth Lindsay
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (13 download)
Download or read book Early Excited State Dynamics of Selected Transition Metal Complexes written by Elspeth Lindsay and published by . This book was released on 1993 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Alexander Auty
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (125 download)
Download or read book The Excited State Dynamics of Pt(II) Transition Metal Complexes written by Alexander Auty and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Pit Jean Boden
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (133 download)
Download or read book Investigation of the Excited State Dynamics of Transition Metal Complexes by Time-resolved Step-scan FTIR and Luminescence Spectroscopy written by Pit Jean Boden and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ewa Broclawik
Publisher : Springer
ISBN 13 : 3030117146
Total Pages : 532 pages
Book Rating : 4.0/5 (31 download)
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 532 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.
Author : E. Kochanski
Publisher : Springer Science & Business Media
ISBN 13 : 9401126984
Total Pages : 448 pages
Book Rating : 4.4/5 (11 download)
Download or read book Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory written by E. Kochanski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this paper is to recall fundamental notions of the molecular spectroscopy and dynamics, necessary for discussion of photophysical and photochemical processes in condensed phases. We will thus treat in a more detailed way the specific features which are important for molecular systems strongly interacting with their environment. Other aspects such as the time evolution of isolated molecules, single-level excitation and state-to-state chemistry, important for the gas-phase photophysics are omitted. We start (Sec.2) with a brief description of radiative processes (light absorption and emission) in molecules. In the quantum-mechanical treatment of this problem, the appropriate basis is that of so-called zero-order states, corresponding to the traditional scheme of electronic states (singlets, doublets, triplets etc.) and vibrational levels belonging to each state. The important point will be deduction of selection rules for most radiative transitions. At this stage all molecular states are considered as stationary states. In order to treat the breakdown of simple selection rules and non-radiative transitions between individual molecular states, it is necessary to take into account the mechanisms coupling the zero-order states (Sec.3). We will first focus on intramolecular coupling effects and then discuss the solvent effects on intramolecular relaxation processes. The problem of the non-radiative transfer of the electronic energy between different molecules - closely related to that of the energy dissipation within a single molecule will be treated in Sec.4.
Author :
Publisher : Academic Press
ISBN 13 : 0123859050
Total Pages : 461 pages
Book Rating : 4.1/5 (238 download)
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
Author : Julia Preiß
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (19 download)
Download or read book Exploring the Ultrafast Excited-state Dynamics of Transition Metal Complexes with Ab-inito Multiple Spawning written by Julia Preiß and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Seit ihrer Entstehung im letzten Jahrhundert hat sich die Quantenchemie weitverbreitet, mit der bereits routinemäßig eine Vielzahl von Spektren berechnet werden können. Im Gegensatz dazu ist die Modellierung von ultraschnellen photochemischen Prozessen heute noch sehr anspruchsvoll und limitiert auf kleine und mittelgroße Moleküle. Die stetig steigende Computerleistung ermöglicht nun die Berechnung großer Übergangsmetallkomplexe. Aufgrund ihrer hohen Anzahl an elektronischen Zuständen und Atomen bergen diese jedoch einige Herausforderungen für die quantenmechanischen Methoden zur Modellierung von ultraschnellen Prozessen. Daher ist es Ziel dieser Arbeit Methoden zu identifizieren, mit denen diese Herausforderungen bewältigt werden können. Dafür wurde zunächst die Methode ab-initio multiple spawning (AIMS) zur Berechnung der Atomkerndynamik basierend auf einem Vergleich von zwei vielversprechenden Methoden ausgesucht. Anschließend wurde die zeitabhängige Dichtefunktionaltheorie (TDDFT) für die Beschreibung der elektronischen Struktur ausgewählt, da diese Methode einen guten Kompromiss zwischen Genauigkeit und Rechenaufwand ermöglicht. Dabei wurden anhand des Beispielkomplexes Eisenpentacarbonyl auch die Grenzen der Methode aufgezeigt. Mit den ausgewählten Methoden wurden 500 fs der Dynamik eines Übergangsmetallkomplexes mit mehr als 100 Atomen simuliert, was die bisher größte AIMS Berechnung für einen Übergangsmetallkomplex darstellt. Durch einen Vergleich mit experimentellen Ergebnissen konnte die Simulation validiert werden und weitere Erkenntnisse über den Reaktionsmechanismus des Komplexes konnten gewonnen werden. Außerdem wurde die Dynamik der angeregten Zustände eines experimentell bisher kaum untersuchten Übergangsmetallkomplexes vorhergesagt, um das Potential der hier ausgewählten Methoden aufzuzeigen. Zusammenfassend wurde damit gezeigt, dass die Kombination von AIMS und TDDFT eine effiziente Berechnung der Dynamik von Übergangsmetallkomplexen ermöglicht.
Author : Mark David Newsham
Publisher :
ISBN 13 :
Total Pages : 540 pages
Book Rating : 4.3/5 (129 download)
Download or read book Excited-state Properties of Transition-metal Complexes in Solution and the Solid State written by Mark David Newsham and published by . This book was released on 1988 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : David Michael P. Mingos
Publisher : Springer Science & Business Media
ISBN 13 : 3642273696
Total Pages : 227 pages
Book Rating : 4.6/5 (422 download)
Download or read book Molecular Electronic Structures of Transition Metal Complexes I written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.
Author :
Publisher :
ISBN 13 :
Total Pages : 942 pages
Book Rating : 4.F/5 ( download)
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:
Author : Jon Paul Janet
Publisher : American Chemical Society
ISBN 13 : 0841299005
Total Pages : 189 pages
Book Rating : 4.8/5 (412 download)
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
Author : Gregory L. Geoffroy
Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.:/5 (436 download)
Download or read book An Investigation of the Photochemical and Excited State Properties of Selected Second and Third Row Transition Metal Complexes written by Gregory L. Geoffroy and published by . This book was released on 1974 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Caroline Norris
Publisher :
ISBN 13 :
Total Pages : 438 pages
Book Rating : 4.:/5 (847 download)
Download or read book The Structure, Reactivity and Spectroscopy of Selected Transition Metal Complexes written by Caroline Norris and published by . This book was released on 2009 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Elsevier
ISBN 13 : 0443237476
Total Pages : 332 pages
Book Rating : 4.4/5 (432 download)
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
Author : Leticia González
Publisher : John Wiley & Sons
ISBN 13 : 1119417759
Total Pages : 52 pages
Book Rating : 4.1/5 (194 download)
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.
Author : Randall Brian Wilson
Publisher :
ISBN 13 :
Total Pages : 712 pages
Book Rating : 4.:/5 (78 download)
Download or read book Spectroscopic Studies of Excited State Potential Energy Surfaces of Transition Metal Complexes written by Randall Brian Wilson and published by . This book was released on 1979 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : G. J. Ferraudi
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 280 pages
Book Rating : 4.F/5 ( download)
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.
