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Sprache: Englisch
Verlag: Springer International Publishing, 2014
ISBN 10: 3319099876 ISBN 13: 9783319099873
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Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied.Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.
Taschenbuch. Zustand: Neu. Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics | Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions | Stavros C. Farantos | Taschenbuch | SpringerBriefs in Molecular Science | xi | Englisch | 2014 | Springer | EAN 9783319099873 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
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Sprache: Englisch
Verlag: Kluwer Academic Publishers, 1993
ISBN 10: 0792323882 ISBN 13: 9780792323884
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Zustand: New. Proceedings of the NATO Advanced Study Institute on 'Molecular Spectroscopy: Recent Experimental and Computational Advances', Ponta Delgada, Sao Miguel, (Acores), Portugal, August 30-September 11, 1992 Editor(s): Fausto, R. Series: NATO Science Series C. Num Pages: 454 pages, biography. BIC Classification: PDN; PNF. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 235 x 155 x 26. Weight in Grams: 846. . 1993. Hardback. . . . .
Sprache: Englisch
Verlag: Springer Netherlands, Springer Netherlands, 1993
ISBN 10: 0792323882 ISBN 13: 9780792323884
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Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.
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