Download or read book Photoinduced Molecular Dynamics in Solution written by Gianluca Levi and published by Springer Nature. This book was released on 2019-09-03 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Photodissociation Dynamics written by Reinhard Schinke and published by Cambridge University Press. This book was released on 1995-05-11 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.

Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Femtochemistry Ultrafast Chemical And Physical Processes In Molecular Systems written by Majed Chergui and published by World Scientific. This book was released on 1996-04-30 with total page 718 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the latest experimental and theoretical developments in the field of femtochemistry, with papers describing the physics and chemistry of ultrafast processes in small molecules, complex molecular systems, clusters, biological systems, solids, matrices, liquids and at surfaces and interfaces. The recent developments in frequency-domain studies of femtodynamics are also presented. In addition, the latest achievements in femtosecond control of chemical reactions are presented, together with the newest techniques in real-time probing of reactions such as ultrafast x-ray or electron diffraction. The papers are rich in references giving a clearcut state-of-the-art of the topics being discussed. The book should be a valuable tool to all persons in the field and to young scientists.Contributors include: A H Zewail, J Jortner, V S Letokhov, J Manz, R S Berry, C Wittig, K B Eisenthal, A W Castleman Jr., J T Hynes, W H Gadzuk, R Kosloff, S Mukamel, K R Wilson; G Fleming, D Wiersma, K Yoshihara, V Sundström, A Apkarian, N Scherer, A Myers, R Schinke, J R Huber, R B Gerber, G Gerber and P M Champion.

Download or read book Reviews in Computational Chemistry Volume 4 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them. The series was established to review the high volume of developments in the field. Rather than create a traditional article, each author approaches a topic to enable the reader to understand and solve problems and locate key references quickly. Each article has tutorial value. An updated compendium of software for molecular modeling appears as an appendix as in previous volumes. To the editors' knowledge, this is the most complete listing of sources of software for computational chemistry anywhere.

Download or read book Ultrafast Reaction Dynamics and Solvent Effects written by Yann Gauduel and published by . This book was released on 1994 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes experimental and theoretical aspects of reaction dynamics in solution and considers advances in the spectroscopy of transient states and computational solution chemistry. Different aspects of primary events of a reaction are discussed in the framework of classical or quantum theories.

Download or read book Coherent Vibrational Dynamics written by Guglielmo Lanzani and published by CRC Press. This book was released on 2007-11-29 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and

Download or read book Femtochemistry And Femtobiology Ultrafast Dynamics In Molecular Science written by Abderrazzak Douhal and published by World Scientific. This book was released on 2002-05-30 with total page 854 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains important contributions from top international scientists on the-state-of-the-art of femtochemistry and femtobiology at the beginning of the new millennium. It consists of reviews and papers on ultrafast dynamics in molecular science.The coverage of topics highlights several important features of molecular science from the viewpoint of structure (space domain) and dynamics (time domain). First of all, the book presents the latest developments, such as experimental techniques for understanding ultrafast processes in gas, condensed and complex systems, including biological molecules, surfaces and nanostructures. At the same time it stresses the different ways to control the rates and pathways of reactive events in chemistry and biology. Particular emphasis is given to biological processes as an area where femtodynamics is becoming very useful for resolving the structural dynamics from techniques such as electron diffraction, and X-ray and IR spectroscopy. Finally, the latest developments in quantum control (in both theory and experiment) and the experimental pulse-shaping techniques are described.

Download or read book Ultrafast Phenomena X written by Paul F. Barbara and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains papers presented at the Tenth International Conference on Ultrafast Phenomena held at Del Coronado, California, from May 28 to June 1, 1996. The biannual Ultrafast Phenomena Conferences provide a forum for the discussion of the latest advances in ultrafast optics and their applications in science and engineering. The Ultrafast Phenomena Conference maintains a broad international representation with 391 participants from 18 countries, including 94 students attending the conference. The multidisciplinary character of this meeting provides a cross-fertilization of ultrafast concepts and techniques among various scientific and engineering disciplines. The enthusiasm of the paticipants, the originality and quality of the papers that they presented, and the beautiful conference site combined to produce a very successful and enjoyable meeting. Progress was reported in the technology of generating ultrashort pulses, in cluding new techniques for improving laser-pulse duration, output power, wave length range, and compactness. Ultrafast spectroscopy continues to impact on and expand the knowledge base of fundamental processes in physics, chemistry, biol ogy and engineering. In addition ultrafast phenomena now extends to real-world applications in biology, high-speed communication, and material diagnostics. The Tenth Ultrafast Phenomena Conference was highlighted by a 'special event' in which the developments of the previous conferences were reviewed in a panel discussion by G. Mourou, E. Ippen, A. Migus, A. Laubereau and R. Hochstrasser.

Download or read book Ultrafast Dynamics of Chemical Systems written by J.D. Simon and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last decade has witnessed significant advances in the ability to generate short light pulses throughout the optical spectrum. These developments have had a tremendous impact on the field of chemical dynamics. Fundamental questions concerning chemical reactions, once thought to be unaddressable, are now easily studied in real-time experiments. Ultrafast spectroscopies are currently being used to study a variety of fundamental chemical phenomena. This book focuses on some of the experimental and associated theoretical studies of reactions in clusters, liquid and solid media. Many of the advances in our understanding of the fundamental details of chemical reactivity result from the interplay of experiment and theory. This theme is present in many of the chapters, indicating the pervasiveness of a combined approach for eludicating molecular models of chemical reactions. With parallel developments in computer simulation, complex chemical sys tems are being studied at a molecular level. The discussions presented in this book recount many areas at the forefront of "ultrafast chemistry". They serve the purpose of both bringing the expert up to date with the work being done in many laboratories as well as introducing those not directly involved in this field to the diverse set of problems that can be studied. I hope that this book conveys the excitement that both I and the other authors in this volume feel about the field of ultrafast chemistry. John D. Simon 1993 1.D. Simon (ed.), Ultrafast Dynamics of Chemical Systems, vii.

Download or read book Photodissociation and Charge Transfer Dynamics of Negative Ions Studied with Femtosecond Photoelectron Spectroscopy written by Martin Thomas Zanni and published by . This book was released on 1999 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Reaction Dynamics in Clusters and Condensed Phases written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.

Download or read book Physical Chemistry of Cold Gas Phase Functional Molecules and Clusters written by Takayuki Ebata and published by Springer. This book was released on 2019-08-02 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.

Download or read book Encyclopedia of Chemical Physics and Physical Chemistry written by John H. Moore and published by CRC Press. This book was released on 2023-07-03 with total page 715 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.

Download or read book Time Resolved Vibrational Spectroscopy V written by Hiroaki Takahashi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: The work contained in this volume is representative of the presentations made by the participants at the Fifth International Conference on Time-Resolved Vibra tional Spectroscopy, which was held at Waseda University, Tokyo, Japan, from June 3 to 7, 1991. The conference was the fifth in a biennial series initiated in 1982 by Prof. George H. Atkinson (University of Arizona) at Lake Placid, USA, and subsequently convened by Prof. Alfred Laubereau (University of Bayreuth, Germany) and Dr. Manfred Stockburger (Max-Planck Institut, G6ttingen, Ger many) at Bayreuth-BischofsgrUn, Germany, in 1985, by Prof. Joop D.W. Van Voorst (University of Amsterdam) at Amersfoort, The Netherlands, in 1987, and by Prof. Thomas G. Spiro (princeton University) at Princeton, USA, in 1989. The purpose of the conference is to bring together researchers from various disciplines and provide a forum for discussion of the latest advances in time resolved spectroscopies concerned with transient vibrational phenomena and their application to fundamental scientific and engineering studies. The 167 registered participants, including 46 students, from 14 different countries, represented a wide range of scientific disciplines, and clearly indicated that the field continues to expand into new areas of physics, chemistry, biology, and materials science. Their enthusiasm and the originality and quality of the contributions presented produced a very successful and enjoyable conference.

Download or read book Femtochemistry and Femtobiology written by Monique M. Martin and published by Elsevier. This book was released on 2004-04-16 with total page 589 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reflects the heights of knowledge of ultrafast chemical processes attained in these early years of the 21st century : the latest research in femtosecond and picosecond molecular processes in Chemistry and Biology, carried out around the world, is described here in more than 110 articles. The results were presented and discussed at the VIth International Conference on Femtochemistry, in Paris, France, from July 6 to July 10, 2003. The articles published here were reviewed by referees selected from specialists in the Femtochemistry community, guaranteeing a collective responsability for the quality of the research reported in the next 564 pages. Femtochemistry is an ever-growing field, where new research areas are constantly opening up, and one which both stimulates and accompanies the development of ultrafast technologies. The increasing interest in femtobiology and chemistry at the frontier with biology is an obvious indicator of the present impact of life sciences in our society. New materials and reactions at surfaces are also some of the relatively new topics that promise rapid developments. New methodologies and technologies for probing and following in real time molecular dynamical phenomena have appeared within the last ten years or so. These methods, based on multidimensional IR spectroscopies, ultrafast X-ray and electron diffraction techniques, are well represented in this book. Of ever-improving performance, they are now applied to the characterization of structural dynamics of an increasing number of chemical and biological systems.This book reports the state of research in Femtochemistry and Femtobiology presented at Paris, at the Maison de la Chimie, in July 2003, representing the tenth anniversary of the conference.* Overview of the most recent research on ultrafast events* Application of new methodologies on chemical and biological systems* Contributions by key players in the field

Download or read book Laser Applications in Physical Chemistry written by D.K. Evans and published by CRC Press. This book was released on 2020-11-26 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction on applications of lasers in Chemistry. It describes laser as a tool for chemistry, the consideration involved in describing a laser beam and what happens to beam as it is propagated through a gas. The book is useful for graduates and advanced undergraduates.