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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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.

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.

Molecular Dynamics

Molecular Dynamics
Author: Perla Balbuena
Publisher: Elsevier
Total Pages: 971
Release: 1999-04-22
Genre: Science
ISBN: 0080536840

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The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.