Download or read book Molecular Excitation Dynamics and Relaxation written by Leonas Valkunas and published by John Wiley & Sons. This book was released on 2013-10-04 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire fi eld rather than just single aspects. Written by experienced authors and recognized authorities in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all fi nd this a must-have for their research. Also suitable as supplementary reading in graduate level courses.
Download or read book Relaxation Processes in Molecular Excited States written by J. Fünfschilling and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Relaxation phenomena of excited molecular states are abundant in all nature. They mediate such key processes as photochemical reactions or even the pathways of ordinary chemical reactions. However, for a long time the main research in electronic relaxation processes was concerned with anorganic solids, in part because of their great technological importance (photography, semiconductors ... ) in part also because these compounds were the "workhorses" of the solid state physicists. In the last 30 years, there was a steadily increasing interest in organic molecular systems, first in molecular crystals and later in all forms of molecular solids (glasses, polymers, membranes, ... ). The present volume combines papers on quite different types of relaxation phenomena: the type of solid studied, the electronic states involved, the physical processes responsible for the relaxations are all different. Nevertheless, after reading this book, a more clear and complete picture of the phenomenon "relaxa tion" emerges that proves that this volume is more than just a collection of individual articles. The volume starts with the paper "Spin-lattice and spin-spin relaxation in photo-excited triplet states in molecular crystals" by Jan Schmidt. Even in these seemingly simple systems of isolated guest molecules in a single crystal host, the relaxation phenomena are quite involved and a very thorough investigation is necessary to find the key relaxation processes. The end of the article provides a bridge to the following paper: it treats interactions of two molecules (dimers), where resonant interactions become important and lead to new, characteristic relaxation processes.
Download or read book Charge and Energy Transfer Dynamics in Molecular Systems written by Volkhard May and published by John Wiley & Sons. This book was released on 2011-04-27 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.
Download or read book Nonadiabatic Quantum Molecular Dynamics with Hopping written by Michael Fischer and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Radiationless Transitions written by Sheng Lin and published by Elsevier. This book was released on 2012-12-02 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Radiationless Transitions is a critical discussion of research studies on the theory and experiments in radiationless transitions. This book is composed of nine chapters, and begins with discussions on the theory and experiment of photophysical processes of single vibronic levels and/or single rovibronic levels. The subsequent chapters deal with the spectroscopic investigations of intramolecular vibrational relaxation; the dynamics of molecular excitation by light; and the photophysical processes of small molecules in condensed phase. The discussions then shift to the high pressure effects on molecular luminescence and the internal conversion involving localized excitations, presenting one qualitative and one quantitative example, as well as the intersystem crossing with localized excitations. A chapter explores the energy transfer processes that occur after a molecule in solution is excited by light, with an emphasis on solid solutions in which the large amplitude molecular motion is largely quenched. This chapter also looks into the liquid solutions in which the molecules can translate and rotate under the influence of fluctuating forces from the liquid. The concluding chapter focuses on ultrafast processes. Researchers in the fields of physics, chemistry, and biology will benefit from this book.
Download or read book Hydrogen Bonding and Transfer in the Excited State written by Ke-Li Han and published by John Wiley & Sons. This book was released on 2011-03-16 with total page 1229 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.
Download or read book Relaxation Dynamics in Molecular Crystals written by Carola Kryschi and published by . This book was released on 1994 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopy and Excitation Dynamics of Condensed Molecular Systems written by Vladimir Moiseevich Agranovich and published by North-Holland. This book was released on 1983 with total page 724 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Download or read book Molecular Relaxation and Critical Dynamics written by Nikos Theodorakopoulos and published by . This book was released on 1972 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping written by Hai-Lung Dai and published by World Scientific. This book was released on 1995 with total page 1154 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Download or read book Molecular Potentials and Relaxation Dynamics written by and published by . This book was released on 1981 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of empirical pseudopotentials, in evaluating interatomic potentials, provides an inexpensive and convenient method for obtaining highly accurate potential curves and permits the modeling of core-valence correlation, and the inclusion of relativistic effects when these are significant. Recent calculations of the X1.sigma. and a3.sigma. states of LiH, NaH, KH, RbH, and CsH and the X2.sigma.+ states of their anions are discussed. Pseudopotentials, including core polarization terms, have been used to replace the core electrons, and this has been coupled with the development of compact, higly-optimized basis sets for the corresponding one- and two-electron atoms. Comparisons of the neutral potential curves with experiment and other ab initio calculations show good agreement (within 1000 cm−1 over most of the potential curves) with the difference curves being considerably more accurate. In the method of computer molecular dynamics, the force acting on each particle is the resultant of all interactions with other atoms in the neighborhood and is obtained as the derivative of an effective many-body potential. Exploiting the pseudopotential approach, in obtaining the appropriate potentials may be very fruitful in the future. In the molecular dynamics example considered here, the conventional sum-of-pairwise-interatomic-potentials (SPP) approximation is used with the potentials derived either from experimental spectroscopic data or from Hartree-Fock calculations. The problem is the collisional de-excitation of vibrationally excited molecular hydrogen at an Fe surface. The calculations have been carried out for an initial vibrotational state v = 8, J = 1 and a translational temperature corresponding to a gas temperature of 500°K. Different angles of approach and different initial random impact points on the surface have been selected. For any given collision with the wall, the molecule may pick up or lose vibrotatonal and translational energy.
Download or read book Disorder Effects on Relaxational Processes written by Ranko Richert and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 745 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of non-crystalline materials has seen the emergence of many challeng ing problems during its long history. In recent years, the interest in polymeric and biological disordered matter has stimulated new activities which in turn have enlarged the organic and inorganic glass community. The current research fields and recent progress have extended our knowledge of the rich phenomenol ogy of glassy systems, where the role of disorder is fundamental for the underlying microscopic dynamics. In addition, despite the lack of a unified theory, many interesting theoretical models have recently evolved. The present volume offers the reader a collection of topics representing the current state in the understanding of disorder effects as well as a survey of the basic problems and phenomena involved. The task of compiling a book devoted to disordered systems has benefited much from a seminar organized by the W.-E. Heraeus Foundation in Bad Honnef in April 1992, where we had the opportunity to discuss the project with most of the authors. Here we wish to thank the Heraeus Foundation for their support, and the authors and Springer-Verlag, especially Dr. Marion Hertel, for the pleasant cooperation.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1977 with total page 1006 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Magnetic and Optical Resonance written by Warren S. Warren and published by Academic Press. This book was released on 2013-10-22 with total page 175 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Magnetic and Optical Resonance, Volume 17 reviews different developing branches of coherent spectroscopy, focusing on the incoherent radiation pulses in optics and magnetic resonance. This book is divided into two chapters. Chapter 1 summarizes the uses and occasional advantages of incoherent radiation pulses in optics and magnetic resonance. The second chapter reviews theoretical developments in zero-field NMR and ESR spectroscopies. Other topics include the nonlinear incoherent spectroscopy; stochastic nonlinear susceptibilities; nonlinear interferometer for magnetic resonance; and nonlinear interference and optics. The zero-field spin dynamics and relaxation and ZF line shapes in the presence of molecular reorientations are also covered. This publication is a good reference for students and researchers interested in coherent spectroscopy.
