Download or read book Quantum Dynamics of Molecules written by R. G. Woolley and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advanced Study Institute on "Quantum Dynamics of Molecules: The New Experimental Challenge to Theorists," which was sponsored by the Scientific Affairs Division of NATO, was held at Trinity Hall, Ca~bridge, England from September 15th till September 29th, 1979. In all, a total of 79 lecturers and students attended the meeting: they had diverse backgrounds in chemistry, physics and mathematics. In my proposal to NATO requesting financial support for an Advanced Study Institute, I suggested that molecular physics was facing a qualitatively new experimental situation in which the exploration of previously inaccessible dynamical phenomena would become of increasing importance. At the same time I was aware that in recent years powerful theoretical techniques, that might prove crucial tools for the interpretation of the new experiments, have been developed in mathematics and theoretical physics. The aim of the ASI was to review at an advanced level these recent developments, juxtaposing new theory with new experimental pos sibilities in the hope that the participants in the-Institute would through their subsequent work increase the awareness of the whole molecular theory community of the changing nature of chemical physics. The recent developments in laser spectroscopy, particle scatter ing experiments and molecular beam technology imply that an entirely new class of phenomena involving molecules in gasses and liquids can now be investigated.
Download or read book Modern Methods for Multidimensional Dynamics Computations in Chemistry written by Donald Leo Thompson and published by World Scientific. This book was released on 1998 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other ?novices? who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Download or read book Structure and Dynamics of Non Rigid Molecular Systems written by Y.G. Smeyers and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. This frontline topic was born a few decades ago, when Longuet-Higgins proposed his famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962) 457). Unfortunately, since this early paper, very few publications have been devoted to the study of non-rigid molecules. Let us mention some books which dedicate some chapters to them: Induced Representations in Crystals and Molecules, by S. L. Altmann, Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by P. R. Bunker, Academic Publishers, 1979; and finally Large Amplitude Motion in Molecules, Vols. I and II, by several authors, Springer Verlag, 1979. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules. A Comprehensive Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we should mention the very specialized work The Permutational Approach to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983. The purpose of this book is to fill in this information on the structure and dynamics of non-rigid systems. To this aim, we have gathered a collection of recent papers written by the most qualified specialists in the world, covering a large field from van der Waals molecules to inorganic complexes and organic polyrotor molecules, as well as considering statistical and dynamic aspects.
Download or read book Photoselective Chemistry Volume 47 Part 1 written by Joshua Jortner and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 786 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Electron Transfer written by Joshua Jortner and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 759 pages. Available in PDF, EPUB and Kindle. Book excerpt: an integrated approach to electron transfer phenomena This two-part stand-alone volume in the prestigious Advances in Chemical Physics series provides the most comprehensive overview of electron transfer science today. It draws on cutting-edge research from diverse areas of chemistry, physics, and biology-covering the most recent developments in the field, and pointing to important future trends. This initial volume includes: * A historical perspective spanning five decades * A review of concepts, problems, and ideas in current research * Electron transfer in isolated molecules and in clusters * General theory, including useful algorithms * Spectra and electron transfer kinetics in bridged compounds The second volume covers solvent control, ultrafast electron transfer and coherence effects, molecular electronics, electron transfer and chemistry, and biomolecules. Electron transfer science has seen tremendous progress in recent years. Technological innovations, most notably the advent of femtosecond lasers, now permit the real-time investigation of intramolecular and intermolecular electron transfer processes on a time scale of nuclear motion. New scientific information abounds, illuminating the processes of energy acquisition, storage, and disposal in large molecules, clusters, condensed phase, and biophysical systems. Electron Transfer: From Isolated Molecules to Biomolecules is the first book devoted to the exciting work being done in nonradiative electron transfer dynamics today. This two-part edited volume emphasizes the interdisciplinary nature of the field, bringing together the contributions of pioneers in chemistry, physics, and biology. Both theoretical and experimental topics are featured. The authors describe modern approaches to the exploration of different systems, including supersonic beam techniques, femtosecond laser spectroscopy, chemical syntheses, and methods in genetic and chemical engineering. They examine applications in such areas as supersonic jets, solvents, electrodes, semi- conductors, respiratory and enzymatic protein systems, photosynthesis, and more. They also relate electron transfer and radiationless transitions theory to pertinent physical phenomena, and provide a conceptual framework for the different processes. Complete with over two hundred illustrations, Part One reviews developments in the field since its inception fifty years ago, and discusses electron transfer phenomena in both isolated molecules and in clusters. It outlines the general theory, exploring areas of the control of kinetics, structure-function relationships, fluctuations, coherence, and coupling to solvents with complex spectral density in different types of electron transfer processes. Timely, comprehensive, and authoritative, Electron Transfer: From Isolated Molecules to Biomolecules is an essential resource for physical chemists, molecular physicists, and researchers working in nonradiative dynamics today.
Download or read book Dynamics of Nonlinear Systems written by Vladimir Hlavacek and published by CRC Press. This book was released on 1986 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Reactions and Their Control on the Femtosecond Time Scale written by Pierre Gaspard and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 984 pages. Available in PDF, EPUB and Kindle. Book excerpt: Continuing the tradition of the Advances in Chemical Physics series, Volume 101: Chemical Reactions and Their Control on the Femtosecond Time Scale details the extraordinary findings reported at the XXth Solvay Conference on Chemistry, held at the Universite Libre de Bruxelles, Belgium, from November 28 to December 2, 1995. This new volume discusses the remarkable opportunities afforded by the femtosecond laser, focusing on the host of phenomena this laser has made it possible to observe. Examining molecules on the intrinsic time scale of their vibrations as well as their dissociative motions and electronic excitations represents only part of a broadened scientific window made possible by the femtosecond laser. The assembled studies, with follow-up discussions, reflect the many specialties and perspectives of the Conference's 65 participants as well as their optimism concerning the breadth of scientific discovery now open to them. The studies shed light on the laser's enhanced technical reach in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femto-chemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed: * Femtochemistry: chemical reaction dynamics and their control * Coherent control with femtosecond laser pulses * Femtosecond chemical dynamics in condensed phases * Control of quantum many-body dynamics * Experimental observation of laser control * Solvent dynamics and RRKM theory of clusters * High-resolution spectroscopy and intramolecular dynamics * Molecular Rydberg states and ZEKE spectroscopy * Transition-state spectroscopy and photodissociation * Quantum and semiclassical theories of chemical reaction rates. A fascinating and informative status report on the cutting-edge chemical research made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an indispensable volume for professionals and students alike. The femtosecond laser and chemistry's extraordinary new frontier of molecular motions observed on the scale of a quadrillionth of a second. Research chemists have only tapped the surface of the spectacular reach and precision of the femtosecond laser, a technology that has allowed them to observe the dynamics of molecules on the intrinsic time scale of their vibrations, dissociative motions, and electronic excitations. Volume 101 in the Advances in Chemical Physics series, Chemical Reactions and Their Control on the Femtosecond Time Scale details their extraordinary findings, presented at the XXth Solvay Conference on Chemistry, in Brussels. The studies reflect the work, in part, of the Conference's 65 participants, including many prominent contributors. Together they shed light on the laser's enhanced technical range in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femtochemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed. An exceptionally up-to-date examination of the chemical analyses made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an important reference for professionals and students interested in enhancing their research capabilities with this remarkable tool. From 1993 to 1996, she worked with Dr. P. Gaspard at the Universite Libre de Bruxelles, Belgium, on the application of new semiclassical techniques to elementary chemical reaction processes.
Download or read book Research in Progress written by and published by . This book was released on 1987 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Download or read book The Electrodynamics of Water and Ice written by Vasily Artemov and published by Springer Nature. This book was released on 2021-04-20 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a research monograph summarizing recent advances related to the molecular structure of water and ice, and it is based on the latest spectroscopic data available. A special focus is given to radio- and microwave frequency regions. Within the five interconnected chapters, the author reviews the electromagnetic waves interaction with water, ice, and moist substances, discussing the microscopic mechanisms behind the dielectric responses. Well-established classic views concerning the structure of water and ice are considered along with new approaches related to atomic and molecular dynamics. Particular attention is given to nanofluidics, atmospheric science, and electrochemistry. The mathematical apparatus, based on diverse approaches employed in condensed matter physics, is widely used and allows the reader to quantitatively describe the electrodynamic response of water and ice in both bulk and confined states. This book is intended for a wide audience covering physicists, electrochemists, geophysicists, engineers, biophysicists, and general scientists who work on the electromagnetic radiation interaction with water and moist substances.
Download or read book Nitroxides written by Gertz I. Likhtenshtein and published by John Wiley & Sons. This book was released on 2008-06-25 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering all aspects of this field, this volume also critically discusses recent results obtained with the use of nitroxides, while providing an analysis of future developments. Written by a group of scientists with long-term experience in investigating the chemistry, physicochemistry, biochemistry and biophysics of nitroxides, the book is not intended as an exhaustive survey of each topic, but rather a discussion of their theoretical and experimental background, as well as recent advances. The first four chapters expound the general theoretical and experimental background and the advantages of modern ESR technique. Chapter 5 focuses on fundamentals and recent results in the preparation and basic chemical properties, while the next two chapters briefly outline principles and current results in nitroxides as spin probes, and as redox probes and spin traps. These chapters form the basis for the subsequent more detailed studies of nitroxides in physicochemistry, while the final chapters concentrate on the advantages of magnetic materials on the basis of nitroxides. Finally, the concluding chapter considers the rapidly developing field of biomedical, therapeutic and clinical applications. With more than 1,100 references to essential literature, this volume provides fundamental knowledge of instrumentation, data interpretation, capacity and recent advantages of nitroxide applications, allowing readers to understand how nitroxides can help them in solving their own problems.
Download or read book Isotope Effects In Chemistry and Biology written by Amnon Kohen and published by CRC Press. This book was released on 2005-11-01 with total page 1092 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Download or read book Spectra and Dynamics of Small Molecules written by Robert W. Field and published by Springer. This book was released on 2015-04-14 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.
Download or read book Time Resolved Spectroscopy in Complex Liquids written by Renato Torre and published by Springer Science & Business Media. This book was released on 2007-11-27 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: Time-Resolved Spectroscopy in Complex Liquids is intended to introduce the experimental researchers to state-of-the-art techniques in the study of the dynamics of complex liquids. The contributors concentrate on time-resolved optical spectroscopy, which recently produced many relevant results and new information about complex liquids. This is an emerging topic of soft-matter science and this book provides the most up-to-date account of new development.
Download or read book Advances in Chemical Physics Volume 59 Index 1 55 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Single Molecule Spectroscopy written by R. Rigler and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: The topics range from single molecule experiments in quantum optics and solid-state physics to analogous investigations in physical chemistry and biophysics.
