Download or read book Computing Applications in Molecular Spectroscopy written by William O. George and published by . This book was released on 1995 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together several branches of molecular spectroscopy and a range of applications of modern computer methods, particularly those dependent on data handling and information technology, to address problems that have become more accessible through increasing computer power. It follows on from an earlier RSC publication entitled 'Computer Methods in UV, Visible and IR Spectroscopy', published in 1990, and brings the subject up to date. Computing Applications in Molecular Spectroscopy is written by leading experts in the field and provides coherent and progressive coverage of the topic. It fulfils a need for systematic presentation of the facts, where the information generally available is highly fragmented, and also provides examples of the use of computer power to improve the understanding of basic theory. Interest in interfacing computing and spectroscopy is wide, spanning industry, government and academia the world over. Computing Applications in Molecular Spectroscopy will provide graduates, researchers and professionals involved in areas such as applied spectroscopy, chemometrics, forensic science, environmental chemistry, and pollution research with a valuable insight into the spectroscopic applications of the latest computer methods.
Download or read book Atomic and Molecular Spectroscopy written by Rita Kakkar and published by Cambridge University Press. This book was released on 2015-05-14 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy is the study of electromagnetic radiation and its interaction with solid, liquid, gas and plasma. It is one of the widely used analytical techniques to study the structure of atoms and molecules. The technique is also employed to obtain information about atoms and molecules as a result of their distinctive spectra. The fast-spreading field of spectroscopic applications has made a noteworthy influence on many disciplines, including energy research, chemical processing, environmental protection and medicine. This book aims to introduce students to the topic of spectroscopy. The author has avoided the mathematical aspects of the subject as far as possible; they appear in the text only when inevitable. Including topics such as time-dependent perturbation theory, laser action and applications of Group Theory in interpretation of spectra, the book offers a detailed coverage of the basic concepts and applications of spectroscopy.
Download or read book Applications of Numerical Methods in Molecular Spectroscopy written by Peter Pelikan and published by CRC Press. This book was released on 1994-01-19 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
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.
Download or read book Quantum Mechanical Foundations of Molecular Spectroscopy written by Max Diem and published by John Wiley & Sons. This book was released on 2021-07-19 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise textbook bridging quantum theory and spectroscopy! Designed as a practical text, Quantum Mechanical Foundations of Molecular Spectroscopy covers the quantum mechanical fundamentals of molecular spectroscopy from the view of a professional spectroscopist, rather than a theoretician. Written by a noted expert on the topic, the book puts the emphasis on the relationship between spectroscopy and quantum mechanics, and provides the background information and derivations of the subjects needed to understand spectroscopy including: stationary energy states, transitions between these states, selection rules, and symmetry. The phenomenal growth of all forms of spectroscopy over the past eight decades has contributed enormously to our understanding of molecular structure and properties. Today spectroscopy covers a broad field including the modern magnetic resonance techniques, non-linear, laser and fiber-based spectroscopy, surface and surface-enhanced spectroscopy, pico- and femtosecond time resolved spectroscopy, and many more. This up-to-date resource discusses several forms of spectroscopy that are used in many fields of science, such as fluorescence, surface spectroscopies, linear and non-linear Raman spectroscopy and spin spectroscopy. This important text: Contains the physics and mathematics needed to understand spectroscopy Explores spectroscopic methods the are widely used in chemistry, biophysics, biology, and materials science Offers a text written by an experienced lecturer and practitioner of spectroscopic methods Includes detailed explanations and worked examples Written for chemistry, biochemistry, material sciences, and physics students, Quantum Mechanical Foundations of Molecular Spectroscopy provides an accessible text for understanding molecular spectroscopy.
Download or read book Applications of Numerical Methods in Molecular Spectroscopy written by Peter Pelikan and published by CRC Press. This book was released on 2020-11-25 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Download or read book Molecules and Radiation written by Jeffrey I. Steinfeld and published by Courier Corporation. This book was released on 2012-11-09 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unified treatment introduces upper-level undergraduates and graduate students to the concepts and methods of modern molecular spectroscopy and their applications to quantum electronics, lasers, and related optical phenomena. Starting with a review of the prerequisite quantum mechanical background, the text examines atomic spectra and diatomic molecules, including the rotation and vibration of diatomic molecules and their electronic spectra. A discussion of rudimentary group theory advances to considerations of the rotational spectra of polyatomic molecules and their vibrational and electronic spectra; molecular beams, masers, and lasers; and a variety of forms of spectroscopy, including optical resonance spectroscopy, coherent transient spectroscopy, multiple-photon spectroscopy, and spectroscopy beyond molecular constants. The text concludes with a series of useful appendixes.
Download or read book Applications of Molecular Spectroscopy to Current Research in the Chemical and Biological Sciences written by Mark Stauffer and published by BoD – Books on Demand. This book was released on 2016-10-05 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of this book is to present an overview of applications of molecular spectroscopy to investigations in organic and inorganic materials, foodstuffs, biosamples and biomedicine, and novel characterization and quantitation methods. This text is a compilation of selected research articles and reviews covering current efforts in various applications of molecular spectroscopy. Sections 1 and 2 deal, respectively, with spectroscopic studies of inorganic and organic materials. Section 3 provides applications of molecular spectroscopy to biosamples and biomedicine. Section 4 explores spectroscopic characterization and quantitation of foods and beverages. Lastly, Section 5 presents research on novel spectroscopic methodologies. Overall, this book should be a great source of scientific information for anyone involved in characterization, quantitation, and method development.
Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
Download or read book Food Authentication written by Contantinos A. Georgiou and published by John Wiley & Sons. This book was released on 2017-05-08 with total page 581 pages. Available in PDF, EPUB and Kindle. Book excerpt: The determination of food authenticity is a vital component of quality control. Its importance has been highlighted in recent years by high-profile cases in the global supply chain such as the European horsemeat scandal and the Chinese melamine scandal which led to six fatalities and the hospitalisation of thousands of infants. As well as being a safety concern, authenticity is also a quality criterion for food and food ingredients. Consumers and retailers demand that the products they purchase and sell are what they purport to be. This book covers the most advanced techniques used for the authentication of a vast number of products around the world. The reader will be informed about the latest pertinent analytical techniques. Chapters focus on the novel techniques & markers that have emerged in recent years. An introductory section presents the concepts of food authentication while the second section examines in detail the analytical techniques for the detection of fraud relating to geographical, botanical, species and processing origin and production methods of food materials and ingredients. Finally, the third section looks at consumer attitudes towards food authenticity, the application of bioinformatics to this field, and the Editor’s conclusions and future outlook. Beyond being a reference to researchers working in food authentication it will serve as an essential source to analytical scientists interested in the field and food scientists to appreciate analytical approaches. This book will be a companion to under- and postgraduate students in their wander in food authentication and aims to be useful to researchers in universities and research institutions.
Download or read book Reviews in Computational Chemistry Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Symmetry and Spectroscopy written by Daniel C. Harris and published by Courier Corporation. This book was released on 1989-01-01 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Informal, effective undergraduate-level text introduces vibrational and electronic spectroscopy, presenting applications of group theory to the interpretation of UV, visible, and infrared spectra without assuming a high level of background knowledge. 200 problems with solutions. Numerous illustrations. "A uniform and consistent treatment of the subject matter." — Journal of Chemical Education.
Download or read book Molecular Spectroscopy written by Jeanne L. McHale and published by CRC Press. This book was released on 2017-07-06 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.
Download or read book Molecular Spectroscopy written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-04-26 with total page 874 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Download or read book Modern Techniques in Applied Molecular Spectroscopy written by Francis M. Mirabella and published by John Wiley & Sons. This book was released on 1998-04-06 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dieses praxisorientierte Handbuch ist besonders für Neulinge auf dem Gebiet der Molekülspektroskopie gedacht. Es vermittelt das notwendige Grundwissen, um moderne Techniken im Laboralltag anwenden zu können, und zeigt, wie die Resultate geeignet auszuwerten sind. (04/98)
Download or read book Modern Spectroscopy written by J. Michael Hollas and published by John Wiley & Sons. This book was released on 2013-04-11 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. * A revised and updated edition of a successful, clearly written book * Includes the latest developments in modern laser techniques, such as cavity ring-down spectroscopy and femtosecond lasers * Provides numerous worked examples, calculations and questions at the end of chapters
Download or read book Quantitative Spectroscopy Theory and Practice written by Brian C. Smith and published by Elsevier. This book was released on 2003-01-17 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: The determination of the concentrations of molecules in samples has long been an important application of spectroscopy. In the last 20 years advances in algorithms, computers, instruments, and software have led to a growing interest in this field. These developments mean samples and analytes that were once considered intractable are increasingly yielding usable calibrations. The purpose of this book is to give readers, without an advanced math background, a thorough grounding in the theory and practice of modern quantitative spectroscopic analysis. The author has placed great emphasis on providing the reader with everything they need to know to obtain a fundamental understanding of quantitative spectroscopy.·Relevant theory is explained in an easy to understand, conversational style. ·Actual spectroscopic data and calibrations are used throughout the book to show how real world calibrations are achieved. ·The complexities of Factor Analysis (PCR/PLS) algorithms are explained in pictures and words, making them understandable for all. ·Written from a spectroscopic rather than a mathematical point of view.·Relevant theory is interspersed with practical discussions in order to make difficult concepts easier to comprehend·It is a comprehensive introduction for novices, and an excellent reference for experts.·Topics on spectroscopy are included to emphasize its importance in quantitative spectroscopy
