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Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry

Mass Spectrometry in Structural Biology and Biophysics - Architecture, Dynamics and Interaction of Biomolecules 2e (Hardcover,... Mass Spectrometry in Structural Biology and Biophysics - Architecture, Dynamics and Interaction of Biomolecules 2e (Hardcover, 2nd Edition)
I Kaltashov
R3,808 Discovery Miles 38 080 Ships in 12 - 17 working days

The definitive guide to mass spectrometry techniques in biology and biophysics

The use of mass spectrometry (MS) to study the architecture and dynamics of proteins is increasingly common within the biophysical community, and Mass Spectrometry in Structural Biology and Biophysics: Architecture, Dynamics, and Interaction of Biomolecules, Second Edition provides readers with detailed, systematic coverage of the current state of the art.

Offering an unrivalled overview of modern MS-based armamentarium that can be used to solve the most challenging problems in biophysics, structural biology, and biopharmaceuticals, the book is a practical guide to understanding the role of MS techniques in biophysical research. Designed to meet the needs of both academic and industrial researchers, it makes mass spectrometry accessible to professionals in a range of fields, including biopharmaceuticals.

This new edition has been significantly expanded and updated to include the most recent experimental methodologies and techniques, MS applications in biophysics and structural biology, methods for studying higher order structure and dynamics of proteins, an examination of other biopolymers and synthetic polymers, such as nucleic acids and oligosaccharides, and much more.

Featuring high-quality illustrations that illuminate the concepts described in the text, as well as extensive references that enable the reader to pursue further study, Mass Spectrometry in Structural Biology and Biophysics is an indispensable resource for researchers and graduate students working in biophysics, structural biology, protein chemistry, and related fields.

Phononic and Electronic Excitations in Complex Oxides Studied with Advanced Infrared and Raman Spectroscopy Techniques... Phononic and Electronic Excitations in Complex Oxides Studied with Advanced Infrared and Raman Spectroscopy Techniques (Hardcover, 1st ed. 2022)
Fryderyk Lyzwa
R4,378 Discovery Miles 43 780 Ships in 10 - 15 working days

This PhD thesis reports on investigations of several oxide-based materials using advanced infrared and Raman spectroscopy techniques and in combination with external stimuli such as high magnetic or electric field, sptial confinement in thin film heterostructures and the radiation with UV light. This leads to new results in the fields of superconductivity, electronic polarization states and nanoscale phenomena. Among these, the observation of anomalous polar moments is of great relevance for understanding the electric-field-induced metal-to-insulator transistion; and the demonstration that confocal Raman spectroscopy of backfolded acoustic photons in metal-oxide multilayers can be used as a powerful characterization tool for monitoring their interface properties and layer thickness is an important technical development for the engineering of such functional oxide heterostructures.

Circular Dichroism and Magnetic Circular Dichroism Spectroscopy for Organic Chemists (Hardcover): Nagao Kobayashi, Atsuya... Circular Dichroism and Magnetic Circular Dichroism Spectroscopy for Organic Chemists (Hardcover)
Nagao Kobayashi, Atsuya Muranaka, John Mack
R3,441 Discovery Miles 34 410 Ships in 10 - 15 working days

CD and MCD spectroscopy can provide key information about the conformations and electronic states of chromophore containing molecules. However, the theory has remained too challenging and inaccessible for many organic chemists and biochemists and only a few researchers have carried out detailed quantitative analyses of their spectral data. This is not surprising as people who excel at spectroscopic theory usually lack the skills set required to design and synthesise the molecules that would be most appropriate for describing and explaining the theory of CD and MCD spectroscopy. Most of the books that have been written on the subject have, therefore, been based on very dense sets of mathematical equations. This timely book rectifies that situation by summarizing the relationship between the different types of spectra and by describing in detail the qualitative and quantitative methods which can readily be used to analyse CD and MCD spectral data. During the last decade the authors have successfully synthesized several molecules to illustrate key points related to the theory of CD and MCD spectroscopy, resulting in this definitive book providing key practical knowledge in a readily accessible style. It is aimed primarily at organic chemists and biochemists and provides the required reading for researchers active in the field. In the introduction, the book describes the types of information that can be derived from CD and MCD spectroscopy. After a detailed explanation of the theory of electronic absorption spectroscopy, it then provides practical in depth examples of the various analytical methods that can be carried out with CD and MCD spectral data. This makes the theory of these techniques much more accessible for researchers who do not specialise in physical chemistry.

Shock and Materials (Hardcover, 1st ed. 2018): Stepan S. Batsanov Shock and Materials (Hardcover, 1st ed. 2018)
Stepan S. Batsanov
R4,416 R2,715 Discovery Miles 27 150 Save R1,701 (39%) Ships in 9 - 15 working days

This book highlights how the properties and structure of materials are affected by dynamic high pressures generated by explosions, projectile impacts, laser compression, electric discharge or ball milling. Starting with the basics of shock-wave physics and an outline of experimental techniques, it then surveys dynamic compressibility and equations of state of various substances, phase transitions and syntheses of novel compounds under shock. It covers various industrial applications including hardening of metals and grinding (fragmentation) of solids, saturation of solids with defects for use as catalysts, production of superhard materials (synthetic diamond, BN (boron nitride)) and nanomaterials, especially nanodiamond, and discusses state-of-the-art techniques such as combining dynamic and static compression to obtain monolithic materials.

Microwave Induced Plasma Analytical Spectrometry (Hardcover, Edition.): Krzysztof J. Jankowski, Edward Reszke Microwave Induced Plasma Analytical Spectrometry (Hardcover, Edition.)
Krzysztof J. Jankowski, Edward Reszke; Series edited by Neil W. Barnett
R3,454 Discovery Miles 34 540 Ships in 12 - 17 working days

This book is the most comprehensive recent publication on MIPs, consisting of 13 chapters, primarily involving the fundamentals, the instrumentation, and the methodologies of MIP-OES. The physical and chemical characteristics of the various MIP sources and sample introduction techniques available are all discussed as well as how these characteristics affect the design of the parts of the MIP setup with inclusion of some very recent work with MIP sources. Considerable experimental and fundamental emphasis is placed on the plasma generation as well as the experimental aspects of sample introduction in MIP spectrometry. The book firstly outlines the generation and operation of MIP discharges, and presents briefly the principles of MIP-based techniques currently in use, along with their potential benefits and limitations. It then addresses the art and science of microwave plasma generation and highlights very recent advances in the field, presenting both the fundamental properties and the design details of new microwave plasma sources. Analytical characteristics and novel applications of MIP-OES for a wide variety of sample types are also reviewed. As the book documents the latest achievements in MIP spectrometry, it should stimulate their use on a wider scale in the analytical and research laboratories and will prove useful to manufacturers of analytical instruments. This book is also aimed at academics and postgraduates embarking on work in the field of MIP source spectrometry, ICP/MIP users, analysts and research groups who want to configure their own plasma spectrometry setup, and manufacturers of plasma spectrometers and MIP devices. It will also be a useful source of information for those seeking to interface various sample introduction techniques with plasmas and for all those who would like to know more about the technique.

Protein Phosphorylation Analysis by Electrospray Mass Spectrometry - A Guide to Concepts and Practice (Hardcover, Edition.):... Protein Phosphorylation Analysis by Electrospray Mass Spectrometry - A Guide to Concepts and Practice (Hardcover, Edition.)
Wolf D. Lehmann
R4,207 Discovery Miles 42 070 Ships in 12 - 17 working days

Protein phosphorylation analysis is a central theme in current analytical biochemistry, cell biology and systems biology. Due to its versatility, specificity and sensitivity, mass spectrometry has developed into a key technology in this field. A set of minor and major instrumental innovations mean that mass spectrometers now exhibit a level of performance, a stability of operation, a relative ease of use, and productivity, which would once have been hard to imagine. This book guides the reader through this prolific field by presenting a collection of personal views and selected examples which cover all the important principles with a focus on electrospray ionization mass spectrometry. It covers: phosphorylation analysis at the peptide, protein and proteome level; manual and automated data evaluation; phosphopeptide enrichment; quantitative aspects; element mass spectrometry; individual analytical strategies, and hints to useful internet resources. This book provides students, graduate students, post-Docs and senior scientists from related areas with a better understanding on molecular protein phosphorylation analysis. Its highest aim is to strengthen the reader's ability to develop a personal, well-founded opinion on original manuscripts published in this field.

The Semiclassical Way to Dynamics and Spectroscopy (Hardcover): Eric J. Heller The Semiclassical Way to Dynamics and Spectroscopy (Hardcover)
Eric J. Heller
R2,447 R2,191 Discovery Miles 21 910 Save R256 (10%) Ships in 12 - 17 working days

A graduate-level text that examines the semiclassical approach to quantum mechanics Physical systems have been traditionally described in terms of either classical or quantum mechanics. But in recent years, semiclassical methods have developed rapidly, providing deep physical insight and computational tools for quantum dynamics and spectroscopy. In this book, Eric Heller introduces and develops this subject, demonstrating its power with many examples. In the first half of the book, Heller covers relevant aspects of classical mechanics, building from them the semiclassical way through the semiclassical limit of the Feynman path integral. The second half of the book applies this approach to various kinds of spectroscopy, such as molecular spectroscopy and electron imaging and quantum dynamical systems with an emphasis on tunneling. Adopting a distinctly time-dependent viewpoint, Heller argues for semiclassical theories from experimental and theoretical vantage points valuable to research in physics and chemistry. Featuring more than two hundred figures, the book provides a geometric, phase-space, and coordinate-space pathway to greater understanding. Filled with practical examples and applications, The Semiclassical Way to Dynamics and Spectroscopy is a comprehensive presentation of the tools necessary to successfully delve into this unique area of quantum mechanics. A comprehensive approach for using classical mechanics to do quantum mechanics More than two hundred figures to assist intuition Emphasis on semiclassical Green function and wave packet perspective, as well as tunneling and spectroscopy Chapters include quantum mechanics of classically chaotic systems, quantum scarring, and other modern dynamical topics

Semiconductor Physics (Hardcover, 2nd ed. 2023): Karl W. Boeer, Udo W. Pohl Semiconductor Physics (Hardcover, 2nd ed. 2023)
Karl W. Boeer, Udo W. Pohl
R23,924 Discovery Miles 239 240 Ships in 10 - 15 working days

This handbook gives a complete and detailed survey of the field of semiconductor physics. It addresses every fundamental principle, the most important research topics and results, as well as conventional and emerging new areas of application. Additionally it provides all essential reference material on crystalline bulk, low-dimensional, and amorphous semiconductors, including valuable data on their optical, transport, and dynamic properties. This updated and extended second edition includes essential coverage of rapidly advancing areas in semiconductor physics, such as topological insulators, quantum optics, magnetic nanostructures and spintronic systems. Richly illustrated and authored by a duo of internationally acclaimed experts in solar energy and semiconductor physics, this handbook delivers in-depth treatment of the field, reflecting a combined experience spanning several decades as both researchers and educators. Offering a unique perspective on many issues, Semiconductor Physics is an invaluable reference for physicists, materials scientists and engineers throughout academia and industry.

Direct Analysis in Real Time Mass Spectrometry - Principles and Practices of DART-MS (Hardcover): Y Dong Direct Analysis in Real Time Mass Spectrometry - Principles and Practices of DART-MS (Hardcover)
Y Dong
R3,585 Discovery Miles 35 850 Ships in 12 - 17 working days

Clear, comprehensive, and state of the art, the groundbreaking book on the emerging technology of direct analysis in real time mass spectrometry Written by a noted expert in the field, Direct Analysis in Real Time Mass Spectrometry offers a review of the background and the most recent developments in DART-MS. Invented in 2005, DART-MS offers a wide range of applications for solving numerous analytical problems in various environments, including food science, forensics, and clinical analysis. The text presents an introduction to the history of the technology and includes information on the theoretical background, for exampleon the ionization mechanism. Chapters on sampling and coupling to different types of mass spectrometers are followed by a comprehensive discussion of a broad range of applications. Unlike most other ionization methods, DART does not require laborious sample preparation, as ionization takes place directly on the sample surface. This makes the technique especially attractive for applications in forensics and food science. Comprehensive in scope, this vital text: -Sets the standard on an important and emerging ionization technique -Thoroughly discusses all the relevant aspects from instrumentation to applications -Helps in solving numerous analytical problems in various applications, for example food science, forensics, environmental and clinical analysis -Covers mechanisms, coupling to mass spectrometers, and includes information on challenges and disadvantages of the technique Academics, analytical chemists, pharmaceutical chemists, clinical chemists, forensic scientists, and others will find this illuminating text a must-have resource for understanding the most recent developments in the field.

Reference Materials in Measurement and Technology - Proceedings of the Fourth International Scientific Conference (Hardcover,... Reference Materials in Measurement and Technology - Proceedings of the Fourth International Scientific Conference (Hardcover, 1st ed. 2022)
Sergey V. Medvedevskikh, Egor P. Sobina, Olga N. Kremleva, Mikhail V. Okrepilov
R5,135 Discovery Miles 51 350 Ships in 10 - 15 working days

The book covers in particular state-of-the-art scientific research about product quality control and related health and environmental safety topics, including human, animal and plant safety assurance issues. These conference proceedings provide contemporary information on the general theoretical, metrological and practical issues of the production and application of reference materials. Reference materials play an integral role in physical, chemical and related type of measurements, ensuring their uniformity, comparability and the validity of quantitative analysis as well as, as a result, the objectivity of decisions concerning the elimination of technical barriers in commercial and economic, scientific and technical and other spheres of cooperation. The book is intended for researchers and practitioners in the field of chemistry, metrologists, technical physics, as well as for specialists in analytical laboratories, or working for companies and organizations involved in the production, distribution and use of reference materials.

Molecular Fluorescence 2e -  Principles and Applications (Paperback, 2nd Edition): B Valeur Molecular Fluorescence 2e - Principles and Applications (Paperback, 2nd Edition)
B Valeur
R2,818 Discovery Miles 28 180 Ships in 12 - 17 working days

This second edition of the well-established bestseller is completely updated and revised with approximately 30 % additional material, including two new chapters on applications, which has seen the most significant developments. The comprehensive overview written at an introductory level covers fundamental aspects, principles of instrumentation and practical applications, while providing many valuable tips. For photochemists and photophysicists, physical chemists, molecular physicists, biophysicists, biochemists and biologists, lecturers and students of chemistry, physics, and biology.

Analytical Methods for Food Safety by Mass Spectrometry - Volume I Pesticides (Paperback): Guo-Fang Pang Analytical Methods for Food Safety by Mass Spectrometry - Volume I Pesticides (Paperback)
Guo-Fang Pang
R3,707 R3,367 Discovery Miles 33 670 Save R340 (9%) Ships in 12 - 17 working days

Analytical Methods for Food Safety by Mass Spectrometry, Volume One: Pesticides systematically introduces the Pesticide and Veterinary Drug Multiresidues Analytical Methods. Volume One includes discussions on 20 pesticide multiresidues chromatic-MS (GC-MS and LC-MS/MS) analytical techniques that have the capability of detecting over 800 pesticides and chemicals in 10 categories of agricultural products, including fruits, vegetables, grains, teas, Chinese medicinal herbs, edible fungus mushrooms, fruit and vegetable juices, animal tissues, aquatic products, raw milk and milk powders, and drinkable water. This book also includes chromatic-MS analytical parameters, linear equations and GPC chromatic behavior parameters for over 800 pesticides. This valuable book can be used as reference for not only university students, but also technical personnel of different specialties who are engaged with study and applications, such as food safety, agricultural environment protection, pesticide development, and utilization in scientific research units, institutions and quality inspection organizations.

Analytical Methods for Food Safety by Mass Spectrometry - Volume II Veterinary Drugs (Paperback): Guo-Fang Pang Analytical Methods for Food Safety by Mass Spectrometry - Volume II Veterinary Drugs (Paperback)
Guo-Fang Pang
R3,677 R3,338 Discovery Miles 33 380 Save R339 (9%) Ships in 12 - 17 working days

Analytical Methods for Food Safety by Mass Spectrometry, Volume Two: Veterinary Drugs systematically introduces the Pesticide and Veterinary Drug Multiresidues Analytical Methods, with discussions on 69 veterinary drug multiresidues chromatic-MS analytical methods that are capable of detecting over 200 veterinary drugs and chemical residues of 20 categories, such as ss-agonists, ss-lactams, aminoglycosides, amphenicols, anabolic hormone, anabolic steroids, avermectins, benzimidazole, cephalosporins, glucocorticoid steroids, macrolides, nitrofurans, nitroimidazoles, NSAIDs, polyether, polypeptides, progestagens, pyrazolones, quinolones, quinoxalines, sedatives, sulfonamides, synthetic estrogens, tetracyclines, thyreostats, and other toxins in animal and poultry tissues, acquatic products, milk, milk powders and bee products. This valuable book can be used as reference for not only university students, but also technical personnel of different specialties who are engaged with study and applications, such as food safety, agricultural environment protection, pesticide development, and utilization in scientific research units, institutions and quality inspection organizations.

Expedition Into the Nanoworld - An Exciting Voyage from Optical Microscopy to Nanoscopy (Paperback, 2022 ed.): Alberto Diaspro Expedition Into the Nanoworld - An Exciting Voyage from Optical Microscopy to Nanoscopy (Paperback, 2022 ed.)
Alberto Diaspro
R740 R601 Discovery Miles 6 010 Save R139 (19%) Ships in 10 - 15 working days

1. A Curious premise "My grandma was a beautiful woman...". This chapter tells about the motivation to decide to do research in life and why with the optical microscope. 2. Just observe! The optical microscope to observe living systems, from organs to proteins. The challenge from its invention to "tomorrow" to decipher cancer and neurological disorders. 3.The colours of the rainbow We all live under the rainbow, colours are delivering the energy needed to explore the living by watching. 4. The sharpener of the light When a curved piece of glass meets the light allows to see those fine dietails hidden to the eyes. 5. A three-dimensional world Flatlandia is a novel, the real world is developed along three spatial dimensions and the optical microscope can produce three-dimensional animated "postcard" by simply changing the lens focus when observing around. 6. Modern times: the space and time of observations Time is the fourth dimension that increases the budget of information at our disposal to understand what's going on at different time time and space scales. 7. Two photon are better than one Quantum mechanics allows to start a joyful revolution in optical microscopy with relevant implicantions in medicine and biology. Two photon is a unique entity. 8. Super eyes to see beyond physical limits Laws of physics limit the perfomances of the light microscope. No doubts. The image reconstrution channel has no limits if you are able to add information and the optical microscope an unlimited super power to visualize details. 9. Without a net Now is time to remove the net. We are skilled enough. So lets control the shape of light to get information without fluorescent labes. 10. The liquid microscope of the future Illumination produces multiple messages tuning across time and space scales and artificial intelligence can merge them to deciphering nature. Liquid tunable microscopy could provide the opportunity to see things differently and to change our point of view, abandoning the obsession of representing the "real world" we have in mind when forming an image. Lets see further! 11. Pop microscopy "Grown-ups never understand anything on their own, and it is tiring for children to always have to give them explanations. "We use nice images to bring you to instruments and applications like in a pop song that people whistle in the shower. 12. Acknowledgments It is a love narration in the love story between a curved piece of glass and the rainbow.

Electron Microscopy in Science and Engineering (Hardcover, 1st ed. 2022): Krishanu Biswas, Sri Sivakumar, Nilesh Gurao Electron Microscopy in Science and Engineering (Hardcover, 1st ed. 2022)
Krishanu Biswas, Sri Sivakumar, Nilesh Gurao
R4,668 Discovery Miles 46 680 Ships in 10 - 15 working days

This issue of Direction focuses on the rapid proliferation of electron microscopy (EM) for scientific as well as technological research. The content written by leading experts is intended to provide the capabilities of EM facilities, set at Indian Institute of Technology (IIT) Kanpur to solve various problems and caters to the needs of both internal and external users. The book provides a detailed and comprehensive viewpoint of the basic features and advanced capabilities of EM facilities to the scientific community. A large number of electron microscopes have been installed and utilized by researchers across various engineering and science departments; hence, this volume provides both breadth as well as depth of various EM facilities available at the institute.

Exoemission from Processed Solid Surfaces and Gas Adsorption (Hardcover, 1st ed. 2023): Yoshihiro Momose Exoemission from Processed Solid Surfaces and Gas Adsorption (Hardcover, 1st ed. 2023)
Yoshihiro Momose
R4,653 Discovery Miles 46 530 Ships in 10 - 15 working days

This book focuses on surface activity of electron emission (EE). Prior to protective painting, a steel surface is usually grit blasted or sandblasted to remove scale and contaminants and to roughen the surface. This book emphasizes that such surface treatment causes EE, increasing the strength of paint adhesion. Introduced here are the experimental results of thermally assisted photoelectron emission (TAPE) and tribo-stimulated (rubbing) electron emission (TriboEE) from practical metals after different kinds of surface-treatment processes. A detailed description is given of how Arrhenius activation energies relating to electron transfer through the surface overlayer and also the energy levels of electrons trapped in the overlayer can be obtained, and how TAPE and TriboEE data can be influenced by the chemical properties of that overlayer. This book is composed of four parts: I. Surface treatment processes; II. The principle of EE analysis used for practical surfaces; III. Materials and methods of EE and X-ray photoelectron spectroscopy (XPS); IV. EE and XPS characteristics of practical surfaces. In the last part, the EE and XPS results for metals, semiconductors, and carbon materials are drawn from the author's own publications. The book will be useful for researchers engaging in surface-treatment processes of various materials.

New Horizons in Millimeter-Wave, Infrared and Terahertz Technologies (Hardcover, 1st ed. 2022): Aritra Acharyya, Arindam... New Horizons in Millimeter-Wave, Infrared and Terahertz Technologies (Hardcover, 1st ed. 2022)
Aritra Acharyya, Arindam Biswas, Hiroshi Inokawa
R4,643 Discovery Miles 46 430 Ships in 10 - 15 working days

This book presents recent and upcoming technological advancements in millimeter-wave (mm-wave), infrared (IR) and terahertz (THz) frequency spectrums. The scope of this book includes a significantly long portion of the electromagnetic spectrum, starting from the mm-waves (i.e. 30 GHz) and extended up to the end of the near-IR spectrum (i.e. 450 THz). Most significant aspect of this portion of the electromagnetic spectrum is that it includes a frequency regime where the gradual technological transition from electronics to photonics occurred. The book especially focuses on the recent advancements and several research issues related to materials, sources, detectors, passive circuits, advanced signal processing and image processing algorithms for mm-wave, IR and THz frequency bands. The book covers a very wide range of readers from basic science to technological experts as well as research scholars.

Capillary Electrophoresis in the Early Twenty-First Century - New Trends and Relevant Applications (Hardcover): Oscar Nunez Capillary Electrophoresis in the Early Twenty-First Century - New Trends and Relevant Applications (Hardcover)
Oscar Nunez
R6,367 R4,802 Discovery Miles 48 020 Save R1,565 (25%) Ships in 12 - 17 working days

Capillary electrophoresis (CE) comprises a family of related separation techniques in which an electric field is used to achieve the separation of components in a mixture. One of the key features of CE is the simplicity of the instrumentation required, and today, these techniques have become powerful analytical tools for high efficiency separation, and the identification of a variety of ionic and neutral compounds. Moreover, the versatility of CE operational modes (capillary zone electrophoresis, micellar electrokinetic capillary chromatography, capillary electrochromatography, capillary isoelectric focusing, isotachophoresis, non-aqueous capillary electrophoresis, etc.) and detection systems (ultraviolet, fluorescence, amperometric, mass spectrometrya|) make CE useful for applications in many fields such as environmental, food, pharmaceutical, and forensic analysis. The typcial drawback of CE techniques, based on their low sensitivity when dealing with conventional UV-detection, due to their short detection pathways and the short sample volume introduced into the capillary, has been largely resolved not only by using more sensitive detectors like fluorescence, amperometric, or mass spectrometry, but by the employment of both off-line and on-line enrichment procedures. The aim of this present book is to address the state-of-the art of capillary electrophoresis techniques within this early twenty-first century, by reviewing new trends and the most relevant applications described in the literature. Uses in fields such as food, environmental, forensic and biological analysis are addressed by means of relevant application. The scope of this book is intentionally broad and is aimed at worldwide analytical laboratories, both public and private, at acadamic institutions, as well as researchers.

Quantum Chemistry of Solids - LCAO Treatment of Crystals and Nanostructures (Hardcover, 2nd ed. 2012): Robert A. Evarestov Quantum Chemistry of Solids - LCAO Treatment of Crystals and Nanostructures (Hardcover, 2nd ed. 2012)
Robert A. Evarestov
R5,791 Discovery Miles 57 910 Ships in 10 - 15 working days

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.
The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book.
Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.
New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe, Co, Ni, Cu, Zn, Cd)."

Infrared and Raman Spectroscopy - Principles and Spectral Interpretation (Paperback, 2nd edition): Peter Larkin Infrared and Raman Spectroscopy - Principles and Spectral Interpretation (Paperback, 2nd edition)
Peter Larkin
R2,533 Discovery Miles 25 330 Ships in 12 - 17 working days

Infrared and Raman Spectroscopy, Principles and Spectral Interpretation, Second Edition provides a solid introduction to vibrational spectroscopy with an emphasis on developing critical interpretation skills. This book fully integrates the use of both IR and Raman spectroscopy as spectral interpretation tools, enabling the user to utilize the strength of both techniques while also recognizing their weaknesses. This second edition more than doubles the amount of interpreted IR and Raman spectra standards and spectral unknowns. The chapter on characteristic group frequencies is expanded to include increased discussions of sulphur and phosphorus organics, aromatic and heteroaromatics as well as inorganic compounds. New topics include a discussion of crystal lattice vibrations (low frequency/THz), confocal Raman microscopy, spatial resolution in IR and Raman microscopy, as well as criteria for selecting Raman excitation wavelengths. These additions accommodate the growing use of vibrational spectroscopy for process analytical monitoring, nanomaterial investigations, and structural and identity determinations to an increasing user base in both industry and academia.

Far Infrared and Terahertz Spectroscopy of Polymers (Paperback): Valery A. Ryzhov Far Infrared and Terahertz Spectroscopy of Polymers (Paperback)
Valery A. Ryzhov
R2,039 Discovery Miles 20 390 Ships in 12 - 17 working days
Lipidomics - Comprehensive Mass Spectrometry of Lipids (Hardcover): X. Han Lipidomics - Comprehensive Mass Spectrometry of Lipids (Hardcover)
X. Han
R3,525 Discovery Miles 35 250 Ships in 12 - 17 working days

Covers the area of lipidomics from fundamentals and theory to applications * Presents a balanced discussion of the fundamentals, theory, experimental methods and applications of lipidomics * Covers different characterizations of lipids including Glycerophospholipids; Sphingolipids; Glycerolipids and Glycolipids; and Fatty Acids and Modified Fatty Acids * Includes a section on quantification of Lipids in Lipidomics such as sample preparation; factors affecting accurate quantification; and data processing and interpretation * Details applications of Lipidomics Tools including for Health and Disease; Plant Lipidomics; and Lipidomics on Cellular Membranes

Molecular and Laser Spectroscopy - Advances and Applications (Paperback): V.P Gupta Molecular and Laser Spectroscopy - Advances and Applications (Paperback)
V.P Gupta
R4,273 R3,866 Discovery Miles 38 660 Save R407 (10%) Ships in 12 - 17 working days

Molecular and Laser Spectroscopy: Advances and Applications provides students and researchers with an up-to-date understanding of the fast-developing area of molecular and laser spectroscopy. Editor V.P. Gupta has brought together the eminent scientists on a selection of topics to develop a systematic approach, first covering basic principles needed to understand each cutting-edge technique and application. This book acts as a standard reference for advanced students of molecular and laser spectroscopy and as a graduate text for new entrants in the field. The book covers a wide range of applications of molecular and laser spectroscopy in diverse areas ranging from materials to medicine and defence, biomedical research, environmental monitoring, forensic investigations, food and agriculture, and chemical, pharmaceutical and petrochemical processes. Researchers and scientific personnel in these fields will learn the latest techniques in order to put them to practical use in their work.

NMR Case Studies - Data Analysis of Complicated Molecules (Paperback): Jeffrey H. Simpson NMR Case Studies - Data Analysis of Complicated Molecules (Paperback)
Jeffrey H. Simpson
R2,621 R2,394 Discovery Miles 23 940 Save R227 (9%) Ships in 12 - 17 working days

NMR Case Studies: Data Analysis of Complicated Molecules provides a detailed discussion of the full logical flow associated with assigning the NMR spectra of complex molecules, also helping readers further develop their NMR spectral assignment skills. The robust case studies present the logic of each assignment, from beginning to end, fully exploring the available range of potential solutions. Readers will gain a better appreciation of various approaches and develop an intuitive sense for when this particular concept should be implemented, thus enhancing their skillsets and providing a host of methodologies potentially amenable to yielding correct assignments. Authored by a scientist with more than 20 years of experience in research and instruction, this book is the ideal reference for anyone in search of application-based content. The book addresses complicated molecules, including corticosteroids, biomolecules, polypeptides, and secondary metabolites.

Handbook of Advanced Chromatography /Mass Spectrometry Techniques (Paperback): Michal Holcapek, Wm. Craig Byrdwell Handbook of Advanced Chromatography /Mass Spectrometry Techniques (Paperback)
Michal Holcapek, Wm. Craig Byrdwell
R4,684 R4,155 Discovery Miles 41 550 Save R529 (11%) Ships in 12 - 17 working days

Handbook of Advanced Chromatography /Mass Spectrometry Techniques is a compendium of new and advanced analytical techniques that have been developed in recent years for analysis of all types of molecules in a variety of complex matrices, from foods to fuel to pharmaceuticals and more. Focusing on areas that are becoming widely used or growing rapidly, this is a comprehensive volume that describes both theoretical and practical aspects of advanced methods for analysis. Written by authors who have published the foundational works in the field, the chapters have an emphasis on lipids, but reach a broader audience by including advanced analytical techniques applied to a variety of fields. Handbook of Advanced Chromatography / Mass Spectrometry Techniques is the ideal reference for those just entering the analytical fields covered, but also for those experienced analysts who want a combination of an overview of the techniques plus specific and pragmatic details not often covered in journal reports. The authors provide, in one source, a synthesis of knowledge that is scattered across a multitude of literature articles. The combination of pragmatic hints and tips with theoretical concepts and demonstrated applications provides both breadth and depth to produce a valuable and enduring reference manual. It is well suited for advanced analytical instrumentation students as well as for analysts seeking additional knowledge or a deeper understanding of familiar techniques.

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