Intramolecular Dynamics

Intramolecular Dynamics
Author: Joshua Jortner
Publisher: Springer Science & Business Media
Total Pages: 550
Release: 2012-12-06
Genre: Science
ISBN: 9400979274

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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.

Symmetry of Intramolecular Quantum Dynamics

Symmetry of Intramolecular Quantum Dynamics
Author: Alexander V. Burenin
Publisher: Walter de Gruyter
Total Pages: 444
Release: 2012-12-06
Genre: Science
ISBN: 3110267640

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The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. This approach does not introduce a configuration space of the molecular system in explicit form at all and, consequently, does not consider in explicit form the wave functions of the coordinates of this space. However, precisely because of its deep philosophical and technical difference this approach is the only possible for the solution of many topical problems of the internal dynamics of molecules. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry. The reader is not supposed to know the apparatus of group representation theory needed for application of symmetry methods in quantum intramolecular dynamics since the first part of the book is dedicated to it.

Dynamics of Molecules and Chemical Reactions

Dynamics of Molecules and Chemical Reactions
Author: Robert Wyatt
Publisher: CRC Press
Total Pages: 692
Release: 1996-06-27
Genre: Science
ISBN: 9780824795382

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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.

Intermolecular and Surface Forces

Intermolecular and Surface Forces
Author: Jacob N. Israelachvili
Publisher: Academic Press
Total Pages: 708
Release: 2011-07-22
Genre: Science
ISBN: 0123919339

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Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. Starts from the basics and builds up to more complex systems Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels Multidisciplinary approach: bringing together and unifying phenomena from different fields This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Studies of Intramolecular Dynamics

Studies of Intramolecular Dynamics
Author: Robert Llewellyn Sundberg
Publisher:
Total Pages: 284
Release: 1983
Genre: Molecular dynamics
ISBN:

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Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping

Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping
Author: Hai-Lung Dai
Publisher: World Scientific
Total Pages: 1148
Release: 1995
Genre: Science
ISBN: 9789810221119

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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.

Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry
Author: Clifford Dykstra
Publisher: Elsevier
Total Pages: 1336
Release: 2011-10-13
Genre: Science
ISBN: 0080456243

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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field

Advances in Chemical Physics, Volume 163

Advances in Chemical Physics, Volume 163
Author: K. Birgitta Whaley
Publisher: John Wiley & Sons
Total Pages: 371
Release: 2018-03-26
Genre: Science
ISBN: 1119375053

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The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics

Advances in Chemical Physics

Advances in Chemical Physics
Author: Ilya Prigogine
Publisher: John Wiley & Sons
Total Pages: 312
Release: 2009-09-09
Genre: Science
ISBN: 0470142316

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This is the only series of volumes available that represents the cutting edge of research relative to advances in chemical physics. Provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Continues to report recent advances with significant, up-to-date chapters. Contributing authors are internationally recognized researchers.

The Thermodynamic Machinery of Life

The Thermodynamic Machinery of Life
Author: Michal Kurzynski
Publisher: Springer Science & Business Media
Total Pages: 438
Release: 2006-07-09
Genre: Science
ISBN: 3540336540

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Thermodynamics was created in the ?rst half of the 19th century as a theory designed to explain the functioning of heat engines converting heat into mechanical work. In the course of time, while the scope of research in this ?eld was being extended to a wider and wider class of energy transformations, thermodynamics came to be considered as a general theory of machines identi?ed with energy transducers. Imp- tant progress in biochemistry in the ?rst half of the 20th century, and in molecular biology in the second half, made it possible to think of treating even living organisms as machines, at least on the subcellular level. However, success in applying thermodynamics to elucidate the phenomenon of life has been rather mitigated. Two reasons seem to be responsible for this unsatisfactory s- uation. Nineteenth century thermodynamics dealt only with simple (homogeneous) systems in complete equilibrium. Although during the 20th century a nonequilibrium thermodynamics was developed, sta- ing with the Onsager theory of linear response and ending with the Prigogine nonlinear theory of dissipative structures, these theories still concern the originally homogeneous systems. Because living organisms are complex systems with a historically frozen spatial and functional structure, a thermodynamics of both nonequilibrium and complex s- tems is needed for their description. The ?rst goal of the present book is to formulate the foundations of such a thermodynamics.