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Ab Initio Calculation Of Spectroscopic Parameters
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Book Synopsis Highly Accurate Spectroscopic Parameters from Ab Initio Calculations by : Christopher J. Stein
Download or read book Highly Accurate Spectroscopic Parameters from Ab Initio Calculations written by Christopher J. Stein and published by Springer. This book was released on 2016-07-25 with total page 63 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis accurate predictions for the spectroscopic parameters of l-C3H+ and C4 are made from state-of-the-art electronic structure calculations. Both molecules are of interest to interstellar cloud chemistry and only scarce experimental information about their rovibrational properties is available. Christopher J. Stein recapitulates the basics of the computational methods applied and gives an in-depth description of the computer program developed for the rovibrational calculations.
Book Synopsis Spectroscopic Parameters for Ozone from Infrared and Ultraviolet Techniques by : Steven M. Adler-Golden
Download or read book Spectroscopic Parameters for Ozone from Infrared and Ultraviolet Techniques written by Steven M. Adler-Golden and published by . This book was released on 1982 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt: The spectral contribution of ozone in the upper atmosphere is a function of the vibrational levels populated in the formation reaction and the time-dependent behavior of those levels. A qualitative analysis of the spectroscopic and Einstein coefficients behavior based on infrared and ultraviolet techniques is presented.
Book Synopsis Spectroscopic Properties of Inorganic and Organometallic Compounds by : G Davidson
Download or read book Spectroscopic Properties of Inorganic and Organometallic Compounds written by G Davidson and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr
Book Synopsis Spectroscopic Properties of Inorganic and Organometallic Compounds by : Jack Yarwood
Download or read book Spectroscopic Properties of Inorganic and Organometallic Compounds written by Jack Yarwood and published by Royal Society of Chemistry. This book was released on 2012-07 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic Properties of Inorganic and Organometallic Compounds: Techniques, Materials and Applications provides a unique source of information in an important area of chemistry. Since Volume 40 the nature and ethos of this series have been altered to reflect a change of emphasis towards 'Techniques, Materials and Applications'. Researchers will now find up-to-date critical reviews which provide in-depth analyses of the leading papers in the field, with authors commenting of the quality and value of the work in a wider context. Focus areas will include structure-function relationships, photochemistry and spectroscopy of inorganic complexes, and catalysis; materials such as ceramics, cements, pigments, glasses and corrosion products; techniques such as advanced laser spectroscopy and theoretical methods.
Book Synopsis Spectroscopic Properties of Inorganic and Organometallic Compounds by : Keith B. Dillon
Download or read book Spectroscopic Properties of Inorganic and Organometallic Compounds written by Keith B. Dillon and published by Royal Society of Chemistry. This book was released on 2006 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series provides an unequalled source of information on an area of chemistry that continues to grow in importance. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in the field, researchers will find this an invaluable source of information on current methods and applications. Volume 39 provides a critical review of the literature published up to late 2004.
Book Synopsis Ab Initio Calculations of the Rotational and Rotational- Vibrational Spectra of Molecular Ions by : Kirk A. Peterson
Download or read book Ab Initio Calculations of the Rotational and Rotational- Vibrational Spectra of Molecular Ions written by Kirk A. Peterson and published by . This book was released on 1990 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Spectroscopic Properties of Rare Earths in Optical Materials by : Guokui Liu
Download or read book Spectroscopic Properties of Rare Earths in Optical Materials written by Guokui Liu and published by Springer Science & Business Media. This book was released on 2006-01-29 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aimed at researchers and graduate students, this book provides up-to-date information about the electronic interactions that impact the optical properties of rare earth ions in solids. Its goal is to establish a connection between fundamental principles and the materials properties of rare-earth activated luminescent and laser optical materials. The theoretical survey and introduction to spectroscopic properties covers electronic energy level structure, intensities of optical transitions, ion-phonon interactions, line broadening, and energy transfer and up-conversion. An important aspect of the book lies in its deep and detailed discussions of materials properties and the potential of new applications such as optical storage, information processing, nanophotonics, and molecular probes that have been identified in recent experimental studies. This volume will be a valuable reference book on advanced topics of rare earth spectroscopy and materials science.
Book Synopsis First Principles Approaches to Spectroscopic Properties of Complex Materials by : Cristiana Di Valentin
Download or read book First Principles Approaches to Spectroscopic Properties of Complex Materials written by Cristiana Di Valentin and published by Springer. This book was released on 2014-09-26 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Book Synopsis Core-Level Spectroscopy in Condensed Systems by : Junjiro Kanamori
Download or read book Core-Level Spectroscopy in Condensed Systems written by Junjiro Kanamori and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Core-level Spectroscopy in Condensed Systems describes how recent improvement of various experimental methods, together with new light and x-ray sources, have provided fresh information about the electronic states and atomic structures of a wide variety of materials. The topics coveredrange from the high-energy spectroscopy of bulk electronic states of rare-earth and transition metals and compounds, including high T superconductors, to recent developments in photoelectron diffraction and other surface problems, all with emphasis on theoretical aspects.
Book Synopsis The Application of Charge Density Research to Chemistry and Drug Design by : G.A. Jeffrey
Download or read book The Application of Charge Density Research to Chemistry and Drug Design written by G.A. Jeffrey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the past twenty years, the X-ray crystallography of organic molecules has expanded rapidly in two opposite directions. One is towards larger and larger biological macromolecules and the other is towards the fine details of the electronic structure of small molecules. Both advances required the development of more sophisticated methodologies. Both were made possible by the rapid development of computer technology. X-ray diffraction equipment has responded to these demands, in the one case by the ability to measure quickly many thousands of diffraction spectra, in the other by providing instruments capable of very high precision. Molecules interact through their electrostatic potentials and therefore their experimental and theoretical measurement and calculation is an essential component to understanding the electronic structure of chemical and biochemical reactions. In this ASI, we have brought together experts and their students from both the experimental and theoretical sides of this field, in order that they better understand the philosophy and complexity of these two complementary approaches. George A. Jeffrey Department of Crystallography University of Pittsburgh Pittsburgh, Pennsylvania 15260 USA vii CONTENTS LECTURES General Considerations on Methods for Studying Molecular Structures and Electron Density Distributions ..
Book Synopsis Optical Spectroscopy and Computational Methods in Biology and Medicine by : Malgorzata Baranska
Download or read book Optical Spectroscopy and Computational Methods in Biology and Medicine written by Malgorzata Baranska and published by Springer Science & Business Media. This book was released on 2013-12-05 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible to achieve in the not so distant past. Integrating vibrational spectroscopy and computational approaches serves as a handbook for people performing vibrational spectroscopy followed by chemometric analysis hence both experimental methods as well as procedures of recommended analysis are described. This volume is written for individuals who develop new methodologies and extend these applications to new realms of chemical and medicinal interest.
Book Synopsis Recent Advances in Group Theory and Their Application to Spectroscopy by : John C. Donini
Download or read book Recent Advances in Group Theory and Their Application to Spectroscopy written by John C. Donini and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last few years have seen a resurgence in the applications of group theory to the problems posed by various characteristics of transition metals and lanthanides. In particular with the commercial availability of more sophisticated experimental tech niques; such as Magnetic Circular Dichroism (M.C.D.), Electron Paramagnetic Resonance (E.P.R. or E.S(pin).R.) and Single Crystal Polarised Spectra; experimental data of a much more sophisticated and selective nature than the old stand-by; absorption spectra and magnetic susceptibility; has become available. This new wealth of high quality experimental data thus pre sents challenges of interpretation and organization of the data which the new developments in group theory strive to meet. The wealth and quality of this new data makes the nuances and differences implicit in the traditional strong and weak field approach testable. Thus, these approaches can be tested more fully and new formalisms can be meaningfully tested, by comparison to experiment. Hence the characteristic implicit in the strong and weak field approaches are revealed by studies into their formal structures as exemplified by Drs. E. Konig, S. Kremer, and S. Piepho. Similarly, works proceed apace on the knotty problem of correlation and gen eralization of these properties through approaches such as those of Drs. P. H. Butler, J. C. Donini and M. Kibler. On a similar vein the deep structure of group representation and correlations of representation of various groups is explored by the afore mentioned and by Drs. Fritzer, Patera and Sharp.
Book Synopsis The Physics and Chemistry of Oxide Superconductors by : Yasuhiro Iye
Download or read book The Physics and Chemistry of Oxide Superconductors written by Yasuhiro Iye and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: High temperature superconductivity is still one of the most discussed topicsin physics. "The Physics and Chemistry of Oxide Superconductors " collects together more than one hundred original contributions presented during the 2nd International Symposium of the Institute for Solid State Physics of the University of Tokyo. The main topics cover new insights into the basic mechanism of high temperature superconductivity, recent developments of new superconducting materials, the state of the art of thin film production,theoretical understanding of the electronic structures in this kind of material, theories for strongly correlated electron systems, and many physical and chemical effects.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1980 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Vibrational Spectroscopy in Protein Research by : Yukihiro Ozaki
Download or read book Vibrational Spectroscopy in Protein Research written by Yukihiro Ozaki and published by Academic Press. This book was released on 2020-05-19 with total page 609 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Spectroscopy in Protein Research offers a thorough discussion of vibrational spectroscopy in protein research, providing researchers with clear, practical guidance on methods employed, areas of application, and modes of analysis. With chapter contributions from international leaders in the field, the book addresses basic principles of vibrational spectroscopy in protein research, instrumentation and technologies available, sampling methods, quantitative analysis, origin of group frequencies, and qualitative interpretation. In addition to discussing vibrational spectroscopy for the analysis of purified proteins, chapter authors also examine its use in studying complex protein systems, including protein aggregates, fibrous proteins, membrane proteins and protein assemblies. Emphasis throughout the book is placed on applications in human tissue, cell development, and disease analysis, with chapters dedicated to studies of molecular changes that occur during disease progression, as well as identifying changes in tissues and cells in disease studies. - Provides thorough guidance in implementing cutting-edge vibrational spectroscopic methods from international leaders in the field - Emphasizes in vivo, in situ and non-invasive analysis of proteins in biomedical and life science research more broadly - Contains chapters that address vibrational spectroscopy for the study of simple purified proteins and protein aggregates, fibrous proteins, membrane proteins and protein assemblies
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1988 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Spectroscopy by : Jörg Grunenberg
Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
