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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.
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.
The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. - Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. - Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. - Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.
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.
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.
This volume presents an up-to-date overview of developments in the field of ultrafast reaction dynamics in condensed phases. Thirteen contributions, written by leading experts, report on a variety of chemical phenomena studied by many different experimental and theoretical techniques. Topics discussed include ultrafast spectroscopic techniques; aspects of electron transfer reactions ranging from solvent effects; intermolecular and intramolecular systems, to dynamics at semiconductor surfaces; the dynamics of chemical systems using Raman spectroscopy; pericyclic photochemical rearrangements and photodissociation reactions; solvent--solute interaction dynamics; and chemical dynamics in clusters. Theoretical treatments of impulsive femtosecond pump-probe spectroscopy, solvation dynamics and electron transfer are presented. The field of ultrafast chemistry is growing rapidly. The works described in this volume provide an overview of many of the exciting areas currently under study. For researchers interested in up-to-date theoretical and experimental developments in ultrafast spectroscopy in chemical systems.
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.
"Offers a concise, logically organized survey of vesicular science and the practical applications of vesicles--including the latest advances in drug delivery. Contains over 2500 helpful citations to the literature, more than 220 drawings and photographs, many in color, and some 350 equations. Presents important topics that indicate the current scope and direction of vesicular research."
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers - Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry