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Predicted Vibrational Spectra At Different Theoretical Levels
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Book Synopsis Chiroptical Spectroscopy by : Prasad L. Polavarapu
Download or read book Chiroptical Spectroscopy written by Prasad L. Polavarapu and published by CRC Press. This book was released on 2016-10-03 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details chiroptical spectroscopic methods: electronic circular dichroism (ECD), optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational Raman optical activity (VROA). For each technique, the text presents experimental methods for measurements and theoretical methods for analyzing the experimental data. It also includes a set of experiments that can be adopted for undergraduate teaching laboratories. Each chapter is written in an easy-to-follow format for novice readers, with necessary theoretical formalism in appendices for advanced readers.
Book Synopsis Handbook of High-resolution Spectroscopy by : Martin Quack
Download or read book Handbook of High-resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Book Synopsis Molecular Spectroscopy by : D. J. Millen
Download or read book Molecular Spectroscopy written by D. J. Millen and published by Royal Society of Chemistry. This book was released on 1973 with total page 593 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Shock Tubes and Waves by : Charles E. Treanor
Download or read book Shock Tubes and Waves written by Charles E. Treanor and published by State University of New York Press. This book was released on 1982-06-30 with total page 908 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sponsored by the U.S. Air Force Office of Scientific Research, this conference was held in Niagara Falls on July 6–9, 1981. This book includes material on the following topics: instrumentation and diagnostics, shock tube facilities and techniques, gas dynamic experiments, heat transfer and real gas effects, boundary layers, shock structure, shock propagation, laser and spectral optical studies, chem and kinetics, relaxation and excitation, ionization, dusty gases, two-phase flow and condensation, shock waves in the environment and energy, and energy-related processes. The book contains a total of 98 papers by well-known specialists.
Book Synopsis The Shock and Vibration Bulletin by :
Download or read book The Shock and Vibration Bulletin written by and published by . This book was released on 1978 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Spectroscopy by : R F Barrow
Download or read book Molecular Spectroscopy written by R F Barrow and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Gas Phase Metal Reactions by : A. Fontijn
Download or read book Gas Phase Metal Reactions written by A. Fontijn and published by Elsevier. This book was released on 2017-05-04 with total page 711 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book brings together, for the first time, all aspects of reactions of metallic species in the gas phase and gives an up-to-date overview of the field. Reactions covered include those of atomic, other free radical and transient neutral species, as well as ions. Experimental and theoretical work is reviewed and the efforts to establish a closer link between these approaches are discussed. The field is mainly approached from a fundamental point-of-view, but the applied problems which have helped stimulate the interest are pointed out and form the major subject of the final chapters. These emphasize the competition between purely gas-phase and gas-surface reactions.
Book Synopsis Density Functional Theory by : Ponnadurai Ramasami
Download or read book Density Functional Theory written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.
Book Synopsis Experimental and Theoretical Approaches to Actinide Chemistry by : John K. Gibson
Download or read book Experimental and Theoretical Approaches to Actinide Chemistry written by John K. Gibson and published by John Wiley & Sons. This book was released on 2018-01-08 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt: A review of contemporary actinide research that focuses on new advances in experiment and theory, and the interplay between these two realms Experimental and Theoretical Approaches to Actinide Chemistry offers a comprehensive review of the key aspects of actinide research. Written by noted experts in the field, the text includes information on new advances in experiment and theory and reveals the interplay between these two realms. The authors offer a multidisciplinary and multimodal approach to the nature of actinide chemistry, and explore the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry. The text covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques. The authors provide contemporary overviews of each topic area presented and describe the current and anticipated experimental approaches for the field, as well as the current and future computational chemistry and materials techniques. In addition, the authors explore the combination of experiment and theory. This important resource: Provides an essential resource the reviews the key aspects of contemporary actinide research Includes information on new advances in experiment and theory, and the interplay between the two Covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques Focuses on the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry Written for academics, students, professionals and researchers, this vital text contains a thorough review of the key aspects of actinide research and explores the most recent advances in experiment and theory.
Book Synopsis New Theories And Predictions On The Ozone Hole And Climate Change by : Qing-bin Lu
Download or read book New Theories And Predictions On The Ozone Hole And Climate Change written by Qing-bin Lu and published by World Scientific. This book was released on 2015-06-11 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph reviews the establishment of new theories of the ozone hole and global climate change, two major scientific problems of global concern. It provides a comprehensive overview of the author's work including significant discoveries and pioneering contributions, such as the discovery of extremely effective dissociative electron transfer reactions of chlorofluorocarbons (CFCs) adsorbed on ice surfaces and its implications for atmospheric ozone depletion; the proposal of the cosmic-ray-driven electron-induced-reaction (CRE) theory for the ozone hole; the predictions of 11-year cyclic variations in polar ozone loss and stratospheric cooling; the discovery of the nearly perfect linear correlation between CFCs and global surface temperature; the proposal of the CFC theory for modern global warming; the discovery of greenhouse-gas-specific climate sensitivity and the parameter-free calculation of global surface temperature change caused by CFCs; the prediction of global cooling; and so on.Unlike conventional atmospheric and climate models, the author's theoretical models were established on robust observed data rather than computer simulations with multiple parameters. The new theories have shown the best agreements with the observed data within 10% uncertainties. This book highlights the scientific understandings of the world-concerned problems from the unique point of view of a physicist who seeks theories with great simplicity and superior predictive capacity.This book is self-contained and unified in presentation. It may be used as an advanced book by graduate students and even ambitious undergraduates in physics, chemistry, environmental and climate sciences. It is also suitable for non-expert readers and policy makers who wish to have an overview of the sciences behind atmospheric ozone depletion and global climate change.
Book Synopsis The Role of Rydberg States in Spectroscopy and Photochemistry by : C. Sándorfy
Download or read book The Role of Rydberg States in Spectroscopy and Photochemistry written by C. Sándorfy and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this volume is to offer a balanced overview of molecular Rydberg spectroscopy as it has developed over recent decades. Recent evolution has split Rydberg spectroscopy into two apparently distinct fields: the one concerns the low (n=3-5) Rydberg states, the other the very high (typically EMn/EM”150) Rydberg states. The former is aimed at spectral levels where Rydberg, valence-shell, and intermediate-type states interact, with a variety of photochemical consequences. The latter considers states extremely close to the ionization limit, from whereionization is possible with a very slight amount of additional energy. Recently developed techniques make it possible to produce ions in well-defined electronic, vibrational and rotational states, including states resulting from spin-orbit or Jahn-Teller splitting. It is then possible to study the structure and reactions of such state-selected ions as well as those of the corresponding neutral molecules. These techniques amount to badly needed high resolution photoelectron spectroscopy.
Book Synopsis Vibrational-rotational Spectroscopy And Molecular Dynamics by : Dusan Papousek
Download or read book Vibrational-rotational Spectroscopy And Molecular Dynamics written by Dusan Papousek and published by World Scientific. This book was released on 1997-10-31 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Chiral Analysis by : Kenneth W. Busch
Download or read book Chiral Analysis written by Kenneth W. Busch and published by Elsevier. This book was released on 2011-10-13 with total page 721 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chiral Analysis covers an important area of analytical chemistry of relevance to a wide variety of scientific professionals. The target audience is scientific professionals with an undergraduate background in chemistry or a related discipline, specifically organic chemists, researchers in drug discovery, pharmaceutical researchers involved with process analysis or combinatorial libraries, and graduate students in chemistry. Chapters have been written with the nonspecialist in mind so as to be self-contained.* Broad coverage - spectroscopic and separation methods covered in a single volume* Up-to-date and detailed review of the various techniques available and/or under development in this field* Contributions from leading experts in the field
Book Synopsis Computational Chemistry by : Jerzy Leszczynski
Download or read book Computational Chemistry written by Jerzy Leszczynski and published by World Scientific. This book was released on 1997 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of computational chemistry methods. The covered topics include fundamentals and applications of propagator calculations, as well as recent developments in the computationally efficient and accurate SAC-CI method, which allows calculation of various electronic states at the same time. SAC-CI studies of excited states of large molecular systems like porphyrins are reviewed, and its application to investigations of surface phenomena is discussed. The book also features a review of recent work on quantum Monte Carlo simulations. Furthermore, the book discusses the application of computational methods to biomolecules and, in particular, the application of the DFT methods to prediction of molecular structures and the IR spectrum of the DNA bases, as well as currently developed force field parameters and their application in molecular dynamics calculations of,biologically important molecules. Lastly, there is a review of a quantum chemistry course which prepares students at the Department of Chemistry of ETH Zurich to perform their own ab initio studies.
Book Synopsis Modern Density Functional Theory: A Tool For Chemistry by : P. Politzer
Download or read book Modern Density Functional Theory: A Tool For Chemistry written by P. Politzer and published by Elsevier. This book was released on 1995-01-27 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard ab initio methods have with chemical accuracy.The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work.
Book Synopsis Concise Handbook Of Analytical Spectroscopy, The: Theory, Applications, And Reference Materials (In 5 Volumes) by : Jerome (Jerry) James Workman, Jr
Download or read book Concise Handbook Of Analytical Spectroscopy, The: Theory, Applications, And Reference Materials (In 5 Volumes) written by Jerome (Jerry) James Workman, Jr and published by World Scientific. This book was released on 2016-06-17 with total page 1824 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of improving the use of electromagnetic energy to achieve a variety of qualitative and quantitative spectroscopic measurements on solid and liquid materials has been proliferating at a rapid rate. The use of such technologies to measure chemical composition, appearance, for classification, and to achieve detailed understanding of material interactions has prompted a dramatic expansion in the use and development of spectroscopic techniques over a variety of academic and commercial fields.The Concise Handbook of Analytical Spectroscopy is integrated into 5 volumes, each covering the theory, instrumentation, sampling methods, experimental design, and data analysis techniques, as well as essential reference tables, figures, and spectra for each spectroscopic region. The detailed practical aspects of applying spectroscopic tools for many of the most exciting and current applications are covered. Featured applications include: medical, biomedical, optical, physics, common commercial analysis methods, spectroscopic quantitative and qualitative techniques, and advanced methods.This multi-volume handbook is designed specifically as a reference tool for students, commercial development and quality scientists, and researchers or technologists in a variety of measurement endeavours.Number of Illustrations and Tables: 393 b/w illus., 304 colour illus, 413 tables.Related Link(s)
Book Synopsis Science in Society 66 by : Dr. Mae-Wan Ho
Download or read book Science in Society 66 written by Dr. Mae-Wan Ho and published by Institute of Science in Soc. This book was released on with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this issue: From the Editors - Ending GMOs Now | Health Watch | Freeing the World from GMOs | 100 % Renewables | No Nuclear | New Age of Water
