Advances In Molecular Vibrations And Collision Dynamics
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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.
Advances In Molecular Vibrations And Collision Dynamics
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Author : Joel M. Bowman
language : en
Publisher: Jai Press
Release Date : 1994-05
Advances In Molecular Vibrations And Collision Dynamics written by Joel M. Bowman and has been published by Jai Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-05 with Science categories.
Adv Mol Vib Col
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Author : Joel M. Bowman
language : en
Publisher:
Release Date : 2000-01
Adv Mol Vib Col written by Joel M. Bowman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-01 with Science categories.
The fourth review in a series discussing molecular vibrations and collision dynamics. Areas addressed by the papers include: vibrational spectroscopy of small size selected clusters; diffusion Monte Carlo studies of water clusters; and energetics and dynamics of air-water photodissociation.
Molecular Collision Dynamics
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Author : J.M. Bowman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Collision Dynamics written by J.M. Bowman and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
This monograph covers a broad spectrum of topics in the very broad field of gas phase molecular collision dynamics. The Introduction previews each of the four fol lowing topics and attempts to sew them together with a common thread. In addition, a brief review of quantum reactive scattering is given there along with some gen eral remarks which highlight the difficulties in doing quantum reactive scatter ing calculations. The chapters are all written by theoreticians who are, of course, experts in the subjects they have written about. Three chapters, the ones by Secrest, Schatz, and the one by Schinke and Bowman deal with non-reactive atom-molecule scattering. Col lectively, they describe nearly the full breadth of scattering methods in use to day, from fully quantum mechanical to semiclassical and quasiclassical. The chapter by Baer is the only one dealing with quantum reactive scattering with the additional complexity of the coupling of two potential energy surfaces. The one simplifying feature of the treatment is that the reaction is constrained to be collinear. Overall, this monograph is mainly a review of the recent advances in the field of molecular collision dynamics, with, however, a considerable amount of new material. It is hoped that workers and students in the field will find reading the mono graph both enlightening and enjoyable.
Advances In Theoretically Interesting Molecules
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Author : Randolph P. Thummel
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Advances In Theoretically Interesting Molecules written by Randolph P. Thummel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
Advances in Theoretically Interesting Molecules: A Research Annual, Volume 2 provides information pertinent to the dynamics of cyclooctatetraene ring inversion. This book deals with bridgehead olefins, which helps to shed light on structure-activity relationships for this most basic functional group. Organized into four chapters, this volume begins with an overview of the involvement of planar, delocalized transition states to account for bond shifting in cyclooctatetraenes, which faces explicit problems in rationalizing the universally low energy demands. This text then examines the carbon-carbon double bond, which is the most ubiquitous functional group in organic chemistry. Other chapters consider the condensed polycyclic benzenoid aromatic hydrocarbons (PAHs), which is a subset of the multifarious class of polynuclear aromatics. This book discusses as well the problem of categorizing the molecular structures of PAHs. The final chapter deals with the reactions and synthesis of Dewar furan. This book is a valuable resource for organic chemists.
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.
Photodissociation Dynamics
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Author : Reinhard Schinke
language : en
Publisher: Cambridge University Press
Release Date : 1995-05-11
Photodissociation Dynamics written by Reinhard Schinke and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-05-11 with Science categories.
Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy
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Author : Michel Herman
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-09
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy written by Michel Herman 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 2009-09-09 with Science categories.
The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians.
Encyclopedia Of Chemical Physics And Physical Chemistry
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Author : John H. Moore
language : en
Publisher: CRC Press
Release Date : 2023-07-03
Encyclopedia Of Chemical Physics And Physical Chemistry written by John H. Moore and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-07-03 with Science categories.
The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.
Status And Future Developments In The Study Of Transport Properties
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Author : W.A. Wakeham
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Status And Future Developments In The Study Of Transport Properties written by W.A. Wakeham and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
This volume contains the fourteen papers presented at the NATO-sponsored Ad vanced Research Workshop on the 'Status and Future Developments in the Study of Transport Properties' held in Porto Carras, Halkidiki, Greece from May 29 to May 31, 1991. The Workshop was organised to provide a forum for the discussion among prac titioners of the state-of-the-art in the treatment of the macroscopic, non-equilibrium properties of gases. The macroscopic quantities considered all arise as a result of the pairwise interactions of molecules in states perturbed from an equilibrium, Maxwellian distribution. The non-equilibrium properties of gases have been studied in detail for well over a century following the formulation of the Boltzmann equation in 1872. Since then the range of phenomena amenable to experimental study has expanded greatly from the properties characteristic of a bulk, non-uniform gas, such as the viscosity and thermal conductivity, to the study of differential scattering cross-sections in molecular beams at thermal energies, to studies of spectral-line widths of individual molecules and of Van der Waals complexes and even further. The common thread linking all of these studies is found in the corresponding theory which relates them all to the potential energy function describing the interaction of pairs of molecules. Thus, accompanying the experimental development there has been a corresponding improvement in the theoretical formulation of the quantities characterising the various phenomena.