Photoinduced Molecular Dynamics In Solution
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Photoinduced Molecular Dynamics In Solution
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Author : Gianluca Levi
language : en
Publisher: Springer Nature
Release Date : 2019-09-03
Photoinduced Molecular Dynamics In Solution written by Gianluca Levi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-03 with Science categories.
This book explores novel computational strategies for simulating excess energy dissipation alongside transient structural changes in photoexcited molecules, and accompanying solvent rearrangements. It also demonstrates in detail the synergy between theoretical modelling and ultrafast experiments in unravelling various aspects of the reaction dynamics of solvated photocatalytic metal complexes. Transition metal complexes play an important role as photocatalysts in solar energy conversion, and the rational design of metal-based photocatalytic systems with improved efficiency hinges on the fundamental understanding of the mechanisms behind light-induced chemical reactions in solution. Theory and atomistic modelling hold the key to uncovering these ultrafast processes. Linking atomistic simulations and modern X-ray scattering experiments with femtosecond time resolution, the book highlights previously unexplored dynamical changes in molecules, and discusses the development of theoretical and computational frameworks capable of interpreting the underlying ultrafast phenomena.
Analysis And Control Of Ultrafast Photoinduced Reactions
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Author : Oliver Kühn
language : en
Publisher: Springer
Release Date : 2010-11-16
Analysis And Control Of Ultrafast Photoinduced Reactions written by Oliver Kühn and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-11-16 with Science categories.
This book summarizes several years of research carried out by a collaboration of many groups on ultrafast photochemical reactions. It emphasizes the analysis and characterization of the nuclear dynamics within molecular systems in various environments induced by optical excitations and the study of the resulting molecular dynamics by further interaction with an optical field.
Analysis And Control Of Ultrafast Photoinduced Reactions
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Author : Oliver Kühn
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-02-05
Analysis And Control Of Ultrafast Photoinduced Reactions written by Oliver Kühn and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-02-05 with Science categories.
This book summarizes several years of research carried out by a collaboration of many groups on ultrafast photochemical reactions. It emphasizes the analysis and characterization of the nuclear dynamics within molecular systems in various environments induced by optical excitations and the study of the resulting molecular dynamics by further interaction with an optical field.
Studies Of Photoinduced Molecular Dynamics Using A Fast Imaging Sensor
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Author : Craig S. Slater
language : en
Publisher: Springer
Release Date : 2015-10-15
Studies Of Photoinduced Molecular Dynamics Using A Fast Imaging Sensor written by Craig S. Slater and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-15 with Science categories.
The work presented in this thesis involves a number of sophisticated experiments highlighting novel applications of the Pixel Imaging Mass Spectrometry (PImMS) camera in the field of photoinduced molecular dynamics. This approach represents the union of a new enabling technology (a multiple memory register, CMOS-based pixel detector) with several modern chemical physics approaches and represents a significant leap forward in capabilities. Applications demonstrated include three-dimensional imaging of photofragment Newton spheres, simultaneous electron-ion detection using a single sensor, and ion-ion velocity correlation measurements that open the door to novel covariance imaging experiments. When combined with Coulomb explosion imaging, such an approach is demonstrated to allow the measurement of molecular structure and motion on a femtosecond timescale. This is illustrated through the controlled photoexcitation of torsional motion in biphenyl molecules and the subsequent real-time measurement of the torsional angle.
Dynamics And Mechanisms Of Photoinduced Electron Transfer And Related Phenomena
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Author : N. Mataga
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Dynamics And Mechanisms Of Photoinduced Electron Transfer And Related Phenomena written by N. Mataga and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
This book contains papers which examine fundamental aspects of photoinduced electron transfer reactions, an area in which a number of breakthroughs have recently occurred. The book is divided into four parts. Parts I and II are mainly concerned with the fundamental aspects of the inter- and intra-molecular charge transfer, electron transfer and related phenomena such as solvent effects, solvation dynamics, energy gap dependences and radical pair dynamics. Part III is concerned with electron transfer and energy transfer phenomena in polymers, films, crystals, and other confined systems. In Part IV, the mechanisms of the energy and electron transfer in biological photosynthetic systems, proteins and reaction center systems are discussed.
Amino Acid
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Author : Toshiki Asao
language : en
Publisher: BoD – Books on Demand
Release Date : 2017-06-28
Amino Acid written by Toshiki Asao and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-28 with Science categories.
Amino Acid - New Insights and Roles in Plant and Animal provides useful information on new aspects of amino acid structure, synthesis reactions, dietary application in animals, and metabolism in plants. Section 1 includes chapters that describe the therapeutic uses, antiallergic effects, new aspects in the D-amino acid structure, historical background of desmosines, and stereoselective synthesis of ?-aminophosphonic acids. Section 2 presents the role of amino acids in plants, which includes new insights and aspects of D-amino acids, metabolism and transport in soybean, changes during energy storage compound accumulation of microalgae, and determination of amino acids from natural compounds. Section 3 describes the chapters on methodologies and requirement of dietary amino acids for Japanese quails, laying hens, and finishing pigs. The final chapter identifies potential importance of glutathione S-transferase activity for generating resistance to triclabendazole in Fasciola hepatica.
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping
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Author : Hai-Lung Dai
language : en
Publisher: World Scientific
Release Date : 1995
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping written by Hai-Lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Since the first stimulated emission pumping (SEP) experiments more than a decade ago, this technique has proven powerful for studying vibrationally excited molecules. SEP is now widely used by increasing numbers of research groups to investigate fundamental problems in spectroscopy, intramolecular dynamics, intermolecular interactions, and even reactions. SEP provides rotationally pre-selected spectra of vibrationally highly excited molecules undergoing large amplitude motions. A unique feature of SEP is the ability to access systematically a wide variety of extreme excitations localized in various parts of a molecule, and to prepare populations in specific, high vibrational levels. SEP has made it possible to ask and answer specific questions about intramolecular vibrational redistribution and the role of vibrational excitation in chemical reactions.
The Future Of Dynamic Structural Science
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Author : Judith A.K. Howard
language : en
Publisher: Springer
Release Date : 2014-07-08
The Future Of Dynamic Structural Science written by Judith A.K. Howard and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-08 with Science categories.
This work focuses on complementary crystallographic and spectroscopic areas of dynamic structural science, from papers presented at the 46th NATO sponsored course in Erice, Sicily 2013. These papers cover a range of material from background concepts to more advanced material and represent a fully inter-disciplinary collection of the latest ideas and results within the field. They will appeal to practising or novice crystallographers, both chemical and biological, who wish to learn more about modern spectroscopic methods and convergent advances and hence vice versa for experimental and computational spectroscopists. The chapters refer to the latest techniques, software and results and each chapter is fully referenced. The volume provides an excellent starting point for new comers in the emerging, multi-disciplinary area of time resolved science.
Ab Initio Molecular Dynamics
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Author : Dominik Marx
language : en
Publisher: Cambridge University Press
Release Date : 2009-04-30
Ab Initio Molecular Dynamics written by Dominik Marx and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-04-30 with Science categories.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Time Resolved Photoionisation Studies Of Polyatomic Molecules
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Author : Martin Alex Bjørnholst
language : en
Publisher: Springer
Release Date : 2021-08-05
Time Resolved Photoionisation Studies Of Polyatomic Molecules written by Martin Alex Bjørnholst and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-05 with Science categories.
This book explores how structure impacts the dynamics of organic molecules in an extensive and impressive range of femtosecond time-resolved experiments that are combined with state-of-the-art theoretical approaches. It explores an area of molecular dynamics that remains largely uncharted and provides an extraordinary overview, along with novel insights into the concept of the dynamophore – the functional group of ultrafast science. Divided into four parts, this book outlines both experimental and computational studies on the VUV photoinduced dynamics of four cyclic ketones and one linear ketone, the ring-opening and dissociative dynamics of cyclopropane, and the potential ultrafast intersystem crossing in three methylated benzene derivatives. Model systems for the disulfide bond and the peptide bond, both of which are related to the structure of proteins, are also investigated. This highly informative and carefully presented book offers a wealth of scientific insights for all scholars with an interest in molecular dynamics.