Spectra And Dynamics Of Small Molecules
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Spectra And Dynamics Of Small Molecules
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Author : Robert W. Field
language : en
Publisher: Springer
Release Date : 2015-04-14
Spectra And Dynamics Of Small Molecules written by Robert W. Field and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-14 with Science categories.
These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.
The Structure Of Small Molecules And Ions
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Author : Ron Naaman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Structure Of Small Molecules And Ions written by Ron Naaman 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 Technology & Engineering categories.
The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.
Molecular Dynamics
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Author : Perla Balbuena
language : en
Publisher: Elsevier
Release Date : 1999-04-22
Molecular Dynamics written by Perla Balbuena and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-04-22 with Science categories.
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 solidsAlthough 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.
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping
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Author : Hai-lung Dai
language : en
Publisher: World Scientific
Release Date : 1995-06-29
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 1995-06-29 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.
Ab Initio Molecular Dynamics
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Author : Dominik Marx
language : en
Publisher: Cambridge University Press
Release Date : 2009-04-30
Ab Initio Molecular Dynamics written by Dominik Marx 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 2009-04-30 with Science categories.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Spectroscopy Dynamics And Molecular Theory Of Carbon Plasmas And Vapors Advances In The Understanding Of The Most Complex High Temperature Elemental System
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Author : Laszlo Nemes
language : en
Publisher: World Scientific
Release Date : 2011-06-17
Spectroscopy Dynamics And Molecular Theory Of Carbon Plasmas And Vapors Advances In The Understanding Of The Most Complex High Temperature Elemental System written by Laszlo Nemes and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-06-17 with Science categories.
This book is a stop-gap contribution to the science and technology of carbon plasmas and carbon vapors. It strives to cover two strongly related fields: the molecular quantum theory of carbon plasmas and carbon nanostructures; and the molecular and atomic spectroscopy of such plasmas and vapors. These two fields of research are strongly intertwined and thus reinforce one another.Even though the use of carbon nanostructures is increasing by the day and their practical uses are emerging, there is no modern review on carbon plasmas, especially from molecular theoretical and spectroscopic viewpoints. The importance of the present book is therefore great from both educational and practical aspects. This review might be the first step towards bringing such textbooks into existence for university education. Similarly, for applied and engineering works in carbon nanostructures, the book provides a theoretical salient point for technologists in the field.
High Resolution Electronic Spectroscopy Of Small Molecules
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Author : Geoffrey Duxbury
language : en
Publisher: CRC Press
Release Date : 2017-08-02
High Resolution Electronic Spectroscopy Of Small Molecules written by Geoffrey Duxbury and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-08-02 with Science categories.
Over recent years electronic spectroscopy has developed significantly, with key applications in atmospheric chemistry, astrophysics and astrochemistry. High Resolution Electronic Spectroscopy of Small Molecules explores both theoretical and experimental approaches to understanding the electronic spectra of small molecules, and explains how this information translates to practice. Professors Geoffrey Duxbury and Alexander Alijah present the links between spectroscopy and photochemistry, and discuss theoretical treatments of the interaction between different electronic states. They provide a thorough discussion of experimental techniques, and explore practical applications. This book will be an indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well as atmospheric scientists, photochemists, kineticists and professional spectroscopists.
Molecular Spectra And Molecular Structure
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Author : K. Huber
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Molecular Spectra And Molecular Structure written by K. Huber 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 Social Science categories.
Since the publication in 1950 of Vol. I, Spectra of Diatomic Molecules of Molecular Spectra and Molecular Structure, much progress has been made in the field. While there have been some important refinements in the theory of diatomic molecular spectra, most of the advances have been in the further exploration of individual spectra. Not only has the number of molecules about which some spectroscopic data are available been increased by a factor of 2 to 3, but also the spectroscopic information about the molecules known in 1950 has been vastly extended. This is due to the observation of new elec tronic states (about three times as many as known before), the enormous improvements in the accuracy of the constants of the states known in 1950, and the determination of higher order constants. In view of the increasing use of spectroscopic information on diatomic molecules in other fields of physics, in chemistry, and in astrophysics, it appeared desirable to prepare an up-to-date version of the table of molecular constants in the appendix of Vol. I. This updating proved to be far more time-consuming than originally anticipated, and it is only now, 10 years that we are able to present such a table, which, instead after its initiation, of the original 80 pages (plus 30 pages of bibliography), now fills a volume of 700 pages. In the interest of economy, and unlike the original version, the new table has been produced by photo-offset from the final manuscript.
Scientific And Technical Aerospace Reports
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Author :
language : en
Publisher:
Release Date : 1992
Scientific And Technical Aerospace Reports written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Aeronautics categories.
Stereodynamics Of Molecular Systems
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Author : Ramaswamy H. Sarma
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Stereodynamics Of Molecular Systems written by Ramaswamy H. Sarma 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.
Stereodynamics of Molecular Systems covers the proceedings of a symposium held at the State University of New York at Albany, on 23-24 April 1979. The book focuses on the stereodynamics of molecules and ions and nucleic acid structure. The contributions tackle spectroscopy, crystallography, perturbations, and electron-transfer reactions. The selection first offers information on nuclear magnetic resonance spectroscopy chemical shifts, coupling constants, and molecular geometry, including chemical shifts, bond coupling constants, and constitutional features of nucleic acids. The book then takes a look at nuclear magnetic resonance spectroscopy stereodynamics of small molecules; nuclear magnetic resonance spectroscopy solution dynamics of polymer chains; and single crystal crystallography. The publication evaluates the steric effects on electron-transfer reactions of sulfonamides; effects of isotopic perturbation on NMR spectra; and conformational mobility of the backbone of cyclic tripeptides. The book also discusses accessible surface areas of nucleic acids and their relation to folding, conformational transition, and protein recognition. Topics include polarity of exposed atoms, surface of DNA double helices, transfer RNA, and calculation of “static“ accessible surface area. The selection is a dependable reference for readers interested in the stereodynamics of molecules and ions and nucleic acid structure.