Vibrational Dynamics Of Molecules
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Vibrational Dynamics Of Molecules
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Author : Joel M Bowman
language : en
Publisher: World Scientific
Release Date : 2022-06-14
Vibrational Dynamics Of Molecules written by Joel M Bowman and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-14 with Science categories.
Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Coherent Vibrational Dynamics
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Author : Guglielmo Lanzani
language : en
Publisher: CRC Press
Release Date : 2007-11-29
Coherent Vibrational Dynamics written by Guglielmo Lanzani and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-11-29 with Science categories.
Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and
Vibration Rotational Spectroscopy And Molecular Dynamics
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Author : Du?an Papou?ek
language : en
Publisher: World Scientific
Release Date : 1997
Vibration Rotational Spectroscopy And Molecular Dynamics written by Du?an Papou?ek and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.
The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.
Structural And Vibrational Dynamics Of Molecular Solids Under Variable Temperature And Pressure
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Author : Bohdan Hindulak Schatschneider
language : en
Publisher:
Release Date : 2008
Structural And Vibrational Dynamics Of Molecular Solids Under Variable Temperature And Pressure written by Bohdan Hindulak Schatschneider and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Molecular dynamics categories.
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping
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Author : Hai-Lung Dai
language : en
Publisher: World Scientific
Release Date : 1995
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping written by Hai-Lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
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.
Advances In Molecular Vibrations And Collision Dynamics
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Author :
language : en
Publisher: Elsevier
Release Date : 1998-09-25
Advances In Molecular Vibrations And Collision Dynamics written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-09-25 with Science categories.
This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics. The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Charge And Energy Transfer Dynamics In Molecular Systems
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Author : Volkhard May
language : en
Publisher: John Wiley & Sons
Release Date : 2023-08-28
Charge And Energy Transfer Dynamics In Molecular Systems written by Volkhard May and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-08-28 with Science categories.
Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.
Vibrational Energy Transfer Involving Large And Small Molecules
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Author : John R. Barker
language : en
Publisher:
Release Date : 1995
Vibrational Energy Transfer Involving Large And Small Molecules written by John R. Barker and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Chemical kinetics categories.
Spectroscopy Of Condensed Media
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Author : C.H. Wang
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Spectroscopy Of Condensed Media written by C.H. Wang and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Spectroscopy of Condensed Media: Dynamics of Molecular Interactions discusses the use of molecular spectroscopy (including nuclear magnetic resonance [NMR] and nonlinear optical spectroscopy) in dynamic processes in condensed molecular systems. The book reviews relationship between transition probability and the time-correlation function of an isotropic electric dipole system, linear-response theory, and light scattering resulting from the translational motion of molecules in fluids. The text describes molecular rotation, theories of angular momentum, nuclear magnetic resonance, and spontaneous and coherent Raman effects. Closely related with the Raman and Brillouin scattering are vibrational dephasing, relaxation processes, and dynamics of phase transition solids. The book highlights the advantages of using NMR and also explains the basic concepts, such as local field, spin temperature, and effective Hamiltonians, that are employed in interpreting NMR experiments. The investigator can use nonlinear optical spectroscopy to study condensed matter. The text also cites two methods in which the investigator can control the time-dependent average Hamiltonian by (1) manipulating the intensity, timing, phase of the pulses, or (2) by sample spinning. The book is intended for advanced graduate students in physical chemistry that will equally benefit both investigators and scientists involved in physics research.
Lattice Dynamics Of Molecular Crystals
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Author : S Califano
language : en
Publisher:
Release Date : 1981-09-01
Lattice Dynamics Of Molecular Crystals written by S Califano and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1981-09-01 with categories.