Photoinduced Molecular Dynamics In Solution

Author : Gianluca Levi
Publisher : Unknown
Page : 208 pages
File Size : 50,8 Mb
Release : 2019
Category : Chemistry
ISBN : 3030286126

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Photoinduced Molecular Dynamics in Solution by Gianluca Levi Pdf

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.

Author : Gianluca Levi
Publisher : Springer Nature
Page : 208 pages
File Size : 46,7 Mb
Release : 2019-09-03
Category : Science
ISBN : 9783030286118

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Photoinduced Molecular Dynamics in Solution by Gianluca Levi Pdf

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.

Author : Oliver Kühn,Ludger Wöste
Publisher : Springer
Page : 842 pages
File Size : 49,9 Mb
Release : 2010-11-16
Category : Science
ISBN : 3540833749

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Analysis and Control of Ultrafast Photoinduced Reactions by Oliver Kühn,Ludger Wöste Pdf

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.

Author : Oliver Kühn,Ludger Wöste
Publisher : Springer Science & Business Media
Page : 854 pages
File Size : 45,7 Mb
Release : 2007-07-05
Category : Science
ISBN : 9783540680383

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Analysis and Control of Ultrafast Photoinduced Reactions by Oliver Kühn,Ludger Wöste Pdf

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.

Author : Craig S. Slater
Publisher : Springer
Page : 186 pages
File Size : 41,8 Mb
Release : 2015-10-15
Category : Science
ISBN : 9783319245171

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Studies of Photoinduced Molecular Dynamics Using a Fast Imaging Sensor by Craig S. Slater Pdf

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.

Author : Toshiki Asao,Md Asaduzzaman
Publisher : BoD – Books on Demand
Page : 296 pages
File Size : 48,6 Mb
Release : 2017-06-28
Category : Science
ISBN : 9789535132417

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Amino Acid by Toshiki Asao,Md Asaduzzaman Pdf

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.

Author : Dominik Marx,Jürg Hutter
Publisher : Cambridge University Press
Page : 503 pages
File Size : 55,6 Mb
Release : 2009-04-30
Category : Science
ISBN : 9781139477192

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Ab Initio Molecular Dynamics by Dominik Marx,Jürg Hutter Pdf

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.

Author : Judith A.K. Howard,Hazel A. Sparkes,Paul R. Raithby,Andrei V. Churakov
Publisher : Springer
Page : 292 pages
File Size : 45,8 Mb
Release : 2014-07-08
Category : Science
ISBN : 9789401785501

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The Future of Dynamic Structural Science by Judith A.K. Howard,Hazel A. Sparkes,Paul R. Raithby,Andrei V. Churakov Pdf

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.

Author : Paul Corkum
Publisher : Springer Science & Business Media
Page : 853 pages
File Size : 45,7 Mb
Release : 2007-07-10
Category : Science
ISBN : 9783540687795

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Ultrafast Phenomena XV by Paul Corkum Pdf

This volume is a collection of papers presented at the Fifteenth International Conference on Ultrafast Phenomena held at the Asilomar Conference Grounds, Pacifc Grove, CA, USA, from July 31 – August 4, 2006. The Ultrafast P- nomena conferences are held every two years and provide a forum for disc- sion of the latest results in ultrafast optics and their applications in science and engineering. These meetings bring together researchers spanning several felds of science and engineering to discuss and debate the latest advances in ult- fast science. This unique forum provides a conduit for the greater dissemi- tion of the latest advances using ultrashort coherent pulses of light. More than 280 papers were presented. Signifcant progress in creating ever shorter pulses of light was reported in the attosecond range, with new applications in high harmonic generation and frequency comb metrology. Multidimensional sp- troscopy is rapidly evolving to provide new insights into quantum coherence and interactions in complex systems. Improvements in time resolved electron and x-ray diffraction provide better atomic scale perspectives on structural dynamics. These examples are but a small subset of the collected works ga- ered in this volume, which provides a valuable synopsis of the recent advances and impact of ultrafast technology in illuminating fundamental processes in physics, chemistry, and biology. There were 323 attendees at the meeting, more than one third of which were graduate and postdoctoral students. Increased s- dent attendance energized the proceedings.

Author : K. Binder, ,G. Münster,M. Kremer
Publisher : Forschungszentrum Jülich
Page : 453 pages
File Size : 41,9 Mb
Release : 2014-03-21
Category : Electronic
ISBN : 9783893369331

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NIC Symposium 2014 - Proceedings by K. Binder, ,G. Münster,M. Kremer Pdf

Author : Yasushi Yokoyama,Keitaro Nakatani
Publisher : Springer
Page : 464 pages
File Size : 55,9 Mb
Release : 2017-05-29
Category : Science
ISBN : 9784431565444

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Photon-Working Switches by Yasushi Yokoyama,Keitaro Nakatani Pdf

This book focuses on photoswitches. The objective of the book is to introduce researchers and graduate course students who are interested in "photon-working switches" not only to the fundamentals but also to the latest research being carried out in this field. Light can reach a target substrate without any physical contact to deliver energy. The energy can induce changes in the structure of the molecules included in the substrate so that its properties and functions are made switchable by light irradiation. When a substrate is able to revert to its original state, this system can be regarded as a "photon-working switch". The terms "photon-working switches" or "photoswitches" are almost equivalent in meaning to "photochromism"; however, they focus on the "switching of functions" of chemical species rather than their "reversible transformation". Most of the authors of this volume are members of PHENICS, an international research group on organic molecular photoswitches composed of research institutions from France, Japan, Russia, China and Germany. Since its inception in 2008, PHENICS has promoted active research to develop the field. This book commemorates the group's eighth year of collaborative research.

Author : Hai-Lung Dai,Robert W. Field
Publisher : World Scientific
Page : 1154 pages
File Size : 50,8 Mb
Release : 1995
Category : Science
ISBN : 9810217498

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Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping by Hai-Lung Dai,Robert W. Field Pdf

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.

Author : Raphael D. Levine
Publisher : Cambridge University Press
Page : 574 pages
File Size : 42,6 Mb
Release : 2009-06-04
Category : Technology & Engineering
ISBN : 1139442872

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Molecular Reaction Dynamics by Raphael D. Levine Pdf

Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.

Author : Anonim
Publisher : ScholarlyEditions
Page : 1624 pages
File Size : 54,5 Mb
Release : 2012-12-26
Category : Technology & Engineering
ISBN : 9781464990748

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Advances in Molecular Nanotechnology Research and Application: 2012 Edition by Anonim Pdf

Advances in Molecular Nanotechnology Research and Application / 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Molecular Nanotechnology. The editors have built Advances in Molecular Nanotechnology Research and Application / 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Molecular Nanotechnology in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Molecular Nanotechnology Research and Application / 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Author : Dieter Ziessow,Wolfgang Lubitz,Friedhelm Lendzian
Publisher : Unknown
Page : 710 pages
File Size : 45,8 Mb
Release : 1998
Category : Magnetic resonance
ISBN : UCSD:31822032031841

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Magnetic Resonance and Related Phenomena by Dieter Ziessow,Wolfgang Lubitz,Friedhelm Lendzian Pdf