Download or read book Intramolecular Dynamics written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Fifteenth Jerusalem Symposium reflected the high standards of the former international 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 intramo lecular dynamics, a subject of central interest for theoreticians, che mists and biologists. During the last two decades, there has been remarkable pro gress in our understanding of time dependent phenomena. The development and application of the modern techniques of quantum mechanics and sta tistical mechanics to excited-state dynamics and to chemical and biophy sical systems constitutes a fast developing current research area. The main theme of the Symposium was built around a conceptual framework for the elucidation of photophysical and photochemical phenomena in atoms, molecules, van der Waals complexes and clusters, condensed phases, poly mers and biological supermolecules. The interdisciplinary nature of this research field was deliberated by intensive and extensive interactions between scientists from different disciplines and between theory and experiment. This volume provides a record of the invited lectures at the Symposium.
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 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 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 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 Proceedings written by and published by . This book was released on 1989 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presented in this publication cover special problems in the field of energetic materials, particularly detonation phenomena in solids and liquids. General subject areas include shock-to-detonation transition, time resolved chemistry, initiation modeling, deflagration-to-detonation transition, equation of state and equation of state and performance, composites and emulsions, and composites and emulsions/underwater explosives, reaction zone, detonation wave propagation, hot spots, detonation products, chemistry and compositions, and special initiation.
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 High Resolution Photoelectron Spectroscopy and Femtosecond Intramolecular Dynamics Using Supersonic Molecular Beams written by Baohua Niu and published by . This book was released on 1992 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book New Trends in Enzyme Catalysis and Biomimetic Chemical Reactions written by Gertz I. Likhtenshtein and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book is a view of enzyme catalysis by a physico-chemist with long-term experience in the investigation of structure and action mechanism of biological catalysts. This book is not intended to provide an exhaustive survey of each topic but rather a discussion of their theoretical and experimental background, and recent developments. The literature of enzyme catalysis is so vast and many scientists have made important contribution in the area, that it is impossible in the space allowed for this book to give a representative set of references. The author has tried to use reviews, and general principles of articles. He apologizes to those he has not been able to include. . ... The monograph is intended for scientists working on enzyme catalysis and adjacent areas such as chemical modeling of biological processes, homogeneous catalysis, biomedical research and biotechnology. The book can be use as a subsidiary manual for instructors, graduate and undergraduate students of university biochemistry and chemistry departments."--Pages ix-x.
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 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 Lasers Molecules and Methods Volume 73 written by Joseph O. Hirschfelder and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 1042 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on a symposium on lasers, molecules, and methods held at the Los Alamos Center for Nonlinear Studies held in July 1986. Contributors present recent advances in theoretical and experimental research on a diversity of dynamical and optical phenomena resulting from the interactions of laser beams with molecules. They describe the predictive results of sophisticated mathematical models, the equipment involved in experiments, and reveal new insights into molecular structure and behavior.
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.
Download or read book Multinuclear NMR written by J. Mason and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 642 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the power and range of modern pulse spectrometers the compass of NMR spec troscopy is now very large for a single book-but we have undertaken this. Our book covers the Periodic Table as multinuclear spectrometers do, and introductory chapters are devoted to the essentials of the NMR experiment and its products. Primary products are chemical shifts (including anisotropies), spin-spin coupling constants, and relaxation times; the ultimate product is a knowledge of content and constitution, dynamic as well as static. Our province is chemical and biochemical rather than physical or technical; only passing reference is made to metallic solids or unstable species, or to practical NMR spectroscopy. Our aim is depth as well as breadth, to explain the fundamental processes, whether of nuclear magnetic shielding, spin-spin coupling, relaxation, or the multiple pulse sequences that have allowed the development of high-resolution studies of solids, multidimensional NMR spectroscopy, techniques for sensitivity enhancement, and so on. This book therefore combines the functions of advanced textbook and reference book. For reasonably comprehensive coverage in a single volume we have sum marized the information in tables and charts, and included all leading references.
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 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 Biology Bulletin of the Academy of Sciences of the USSR written by Akademii︠a︡ nauk SSSR. and published by . This book was released on 1989 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt:
