Download or read book Dynamical Spectroscopy of Prototypes in Condensed Phase Chemistry written by and published by . This book was released on 2001 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Significant accomplishments were made under the program of dynamical spectroscopy, aimed at elucidating details of chemical dynamics in condensed media. In fact, there now is a well-defined field of multi-dimensional spectroscopy, entirely aimed at the essence of what we had proposed. In the same natural vain of evolution, we developed the rather powerful technique of Time and Frequency Resolved Coherent Anti Stokes Raman Scattering (TFRCARS), as a tool that goes beyond the interrogation of interactions and molecular dynamics in condensed media. This four-wave mixing scheme, with transform limited detection of evolving coherences, can be regarded as a complete experiment in the creation, manipulation, and interrogation of quantum coherences. As such, it foreshadows useful quantum control, be it for chemical or computational purposes. A significant part of our present effort is aimed at devising and implementing control with shaped pulses to demonstrate computational algorithms in the laboratory. The original inspiration for developing TFRCARS was our aim to manipulate molecular wavepackets in regions where direct pumping could not be achieved, due to the inaccessible Franck-Condon factors. The target of those studies was the detailed dissection of non-adiabatic dynamics in the condensed phase prototype of solvated molecular iodine. While significant progress has been made toward this end, both direct experimentation and theoretical understanding of this process remain somewhat illusive. Highlights of advances made in theory and experiment are given based on some 20 published works that have appeared during this funding period, as a result of partial or total support by the grant.

Download or read book Chemical Dynamics in Condensed Phases written by Abraham Nitzan and published by Oxford University Press. This book was released on 2024-07-16 with total page 752 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition of Chemical Dynamics in Condensed Phases provides a substantial modification and expansion of the first edition published in 2006. Nitzan offers a uniform approach to diverse problems encountered in the study of dynamical processes in condensed phase molecular systems. The textbook focuses on three themes: contextual background material, in-depth introduction of methodologies, and analysis of several key applications. These applications are among the most fundamental processes that underlie physical, chemical, and biological phenomena in complex systems. The comprehensive, advanced, and self-contained text provides the theoretical foundations for the processes affecting molecular dynamics in condensed phases that are encountered in the chemistry laboratory as well as in biology and material science research. The mathematical tools and the physical concepts necessary to develop the chemical description are provided first, followed by a detailed discussion of the fundamental chemical processes that underlie the chemical dynamics, including quantum and classical aspects of molecular motion and the interaction of molecules with the radiation field and the surrounding thermal environment. The last part of the book discusses several key processes: accumulation and relaxation of molecular energy, chemical reaction dynamics and the interplay of these dynamics with the dynamics and relaxation of the surrounding solvent, electron transfer reactions, electrode processes and molecular conduction junctions as well as molecular response to optical stimuli in solution and at dielectric interfaces. Attention is given to combining the mathematical analysis with qualitative physical understanding of the different dynamical phenomena. New to this edition is a new chapter 19 on the interaction of molecules with light at dielectric interfaces, motivated by the surge of interest in molecular plasmonics and molecular cavity electrodynamics, as well as a section relevant to this issue added to Chapter 10. Chapters on light-matter interaction and spectroscopy have been expanded to include subjects relevant to the foundation and practice of interfacial spectroscopy. Sections have also been added to include discussion of noise and fluctuations observed in single molecule spectroscopy and in molecular junction transport.

Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2002-05-31 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.

Download or read book Ultrafast Spectroscopy of Prototypes for Electronically Nonadiabatic Dynamics in Solution Chemistry written by Carlos Silva and published by . This book was released on 1998 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Ultrafast Measurement of Chemical Dynamics in the Condensed Phase Using Transient Vibrational Spectroscopy written by Xiaobing Xu and published by . This book was released on 1991 with total page 308 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 Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure

Download or read book Dynamics and Spectra in Condensed Phases written by Younjoon Jung and published by . This book was released on 2002 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis, several problems regarding dynamics and spectra in condensed phases are theoretically analyzed via analytical models. The thesis consists of four main topics. First, a theoretical description of single molecule spectroscopy is presented in order to study time-dependent fluctuations of single molecule spectra in a dynamic environment. In particular, the photon counting statistics is investigated for a single molecule undergoing a generic type of spectral diffusion process. An exact analytical solution is found for this case, and various physical limits are analyzed. Second, motivated by recent experimental observations of anomalous spectral fluctuations in quantum dot systems, both the lineshape phenomenon and the photon counting statistics are explored when spectral fluctuations are characterized by power-law statistics, for which there is no finite timescale. Unique features of the power-law statistics are demonstrated in spectral properties of those systems. Third, a spectral analysis method is developed for the non-adiabatic electron transfer reactions, which allows a unified treatment of diverse kinetic regimes in the electron transfer process. The method is applied to electron transfer reactions in mixed-valence systems in order to explore the possibility of electronic coherence. Finally, effects of the nonequilibrium bath relaxation on the excitation energy transfer process are investigated by generalizing the Forster-Dexter theory of excitation energy transfer to the case of the nonstationary bath relaxation.

Download or read book Predicting Vibrational Spectra of Condensed Phase Systems written by Martin Brehm and published by . This book was released on 2023* with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational spectroscopy; analytical chemistry; condensed phase; molecular dynamics; computer simulations; infrared spectroscopy; Raman spectroscopy.

Download or read book Computational Spectroscopy of Molecular Dynamics Phenomena in Condensed Phase kumulative Dissertation written by Svetlana Pylaeva and published by . This book was released on 2019* with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy; AIMD; Hydrogen bond; IDP.

Download or read book Conceptual Perspectives in Quantum Chemistry written by Jean-Louis Calais 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 rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Download or read book Multidimensional Time Resolved Spectroscopy written by Tiago Buckup and published by Springer. This book was released on 2018-12-07 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Download or read book Femtochemistry Ultrafast Dynamics Of The Chemical Bond In 2 Volumes Volume 1 written by Ahmed H Zewail and published by World Scientific. This book was released on 1994-09-12 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes on Femtochemistry present a timely contribution to a field central to the understanding of the dynamics of the chemical bond. This century has witnessed great strides in time and space resolutions, down to the atomic scale, providing chemists, biologists and physicists with unprecedented opportunities for seeing microscopic structures and dynamics. Femtochemistry is concerned with the time resolution of the most elementary motions of atoms during chemical change - bond breaking and bond making - on the femtosecond (10-15 second) time scale. This atomic scale of time resolution has now reached the ultimate for the chemical bond and as Lord George Porter puts it, chemists are near the end of the race against time. These two volumes cover the general concepts, techniques and applications of femtochemistry.Professor Ahmed Zewail, who has made the pioneering contributions in this field, has from over 250 publications selected the articles for this anthology. These volumes begin with a commentary and a historical chronology of the milestones. He then presents a broad perspective of the current state of knowledge in femtochemistry by researchers around the world and discusses possible new directions. In the words of a colleague, ';it is a must on the reading-list for all of my students ...; all readers will find this to be an informative and valuable overview.';The introductory articles in Volume I provide reviews for both the non-experts as well as for experts in the field. This is followed by papers on the basic concepts. For applications, elementary reactions are studied first and then complex reactions. Volume I is complete with studies of solvation dynamics, non-reactive systems, ultrafast electron diffraction and the control of chemical reactions.Volume II continues with reaction rates, the concept of elementary intramolecular vibrational-energy redistribution (IVR) and the phenomena of rotational coherence which has become a powerful tool for the determination of molecular structure via time resolution. The second volume ends with an extensive list of references, according to topics, based on work by Professor Zewail and his group at Caltech.These collected works by Professor Zewail will certainly be indispensable to both experts and beginners in the field. The author is known for his clarity and for his creative and systematic contributions. These volumes will be of interest and should prove useful to chemists, biologists and physicists. As noted by Professor J Manz (Berlin) and Professor A W Castleman, Jr. (Penn State): femtochemistry is yielding exciting new discoveries from analysis to control of chemical reactions, with applications in many domains of chemistry and related fields, e.g., physical, organic and inorganic chemistry, surface science, molecular biology, ...; etc.

Download or read book Analysis and Control of Ultrafast Photoinduced Reactions written by Oliver Kühn and published by Springer Science & Business Media. This book was released on 2007-07-05 with total page 854 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Theoretical and Computational Photochemistry written by García Iriepa Cristina and published by Elsevier. This book was released on 2023-04-21 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work. Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes

Download or read book Reaction Dynamics Involving Ions Radicals Neutral and Excited Species written by Stefano Falcinelli and published by Frontiers Media SA. This book was released on 2020-01-22 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Advances in Multi photon Processes and Spectroscopy written by S. H. Lin and published by World Scientific. This book was released on 2010 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions, and molecules in chemistry, physics, biology and materials science, it is timely to publish an advanced series that contains review papers readable not only by active researchers in these areas, but also by those who are non-experts but who wish to enter the field. This present volume attempts to serve this purpose. Each chapter is written in a self-contained manner by experts in their own area of expertise so that general readers can grasp the knowledge in that area without too much preparation.