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

Investigations of Cellular and Molecular Biophysical Properties by Atomic Force Microscopy Nanorobotics (Hardcover, 1st ed.... Investigations of Cellular and Molecular Biophysical Properties by Atomic Force Microscopy Nanorobotics (Hardcover, 1st ed. 2018)
Mili
R3,214 Discovery Miles 32 140 Ships in 18 - 22 working days

This book presents methodological and application research in detecting cellular and molecular biophysical properties based on atomic force microscopy (AFM) nanorobotics. Series methods for in situ label-free visualizing and quantifying the multiple physical properties of single cells and single molecules were developed, including immobilization strategies for observing fine structures of living cells, measurements of single-cell mechanics, force recognition of molecular interactions, and mapping protein organizations on cell surface. The biomedical applications of these methods in clinical lymphoma treatments were explored in detail, including primary sample preparation, cancer cell recognition, AFM detection and data analysis. Future directions about the biomedical applications of AFM are also given.

Detection of Chemical, Biological, Radiological and Nuclear Agents for the Prevention of Terrorism - Mass Spectrometry and... Detection of Chemical, Biological, Radiological and Nuclear Agents for the Prevention of Terrorism - Mass Spectrometry and Allied Topics (Hardcover, 2014 ed.)
Joseph Banoub
R3,864 R3,441 Discovery Miles 34 410 Save R423 (11%) Ships in 10 - 15 working days

This NATO-ASIinstallment is designed to provide an advanced overview for doctoral and post-doctoral candidates of the state-of-the-art technologies for bio-detection. The main objective of the work aims at providingreaders with the latest developments necessary to successfully understand the CBRN Agents and their associated biotechnologies.

The core methods focused on aremass spectrometry (including chromatographic and electrophoretic separation) and comparisons to spectroscopic, immunological and molecular analysis of chemical, biological and nuclear agents."

Gel-Free Proteomics - Methods and Protocols (Hardcover, 2011 ed.): Kris Gevaert, Joel Vandekerckhove Gel-Free Proteomics - Methods and Protocols (Hardcover, 2011 ed.)
Kris Gevaert, Joel Vandekerckhove
R2,750 Discovery Miles 27 500 Ships in 18 - 22 working days

Proteomics by means of mass spectrometry has rapidly changed the way that we analyze proteomes. "Gel-Free Proteomics: Methods and Protocols" addresses contemporary methods for gel-free proteome research with a special focus on differential analysis and protein modifications. Divided into twenty-five chapters, this detailed volume meticulously describes vital procedures needed to perform gel-free proteomics, ranging from sample preparation, isotope labeling for differential proteomics, enrichment technologies for modified proteins and peptides, and bioinformatics. Written in the successful "Methods in Molecular Biology " series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls.

Authoritative and easily accessible, "Gel-Free Proteomics: Methods and Protocols" serves as a timely resource for both professionals and novices pursing research in this critical field."

Spectral Finite Element Method - Wave Propagation, Diagnostics and Control in Anisotropic and Inhomogeneous Structures... Spectral Finite Element Method - Wave Propagation, Diagnostics and Control in Anisotropic and Inhomogeneous Structures (Hardcover, 2008 ed.)
Srinivasan Gopalakrishnan, Abir Chakraborty, Debiprosad Roy Mahapatra
R4,081 Discovery Miles 40 810 Ships in 18 - 22 working days

In recent times, the use of composites and functionally graded materials (FGMs) in structural applications has increased. FGMs allow the user to design materials for a specified functionality and therefore have numerous uses in structural engineering. However, the behaviour of these structures under high-impact loading is not well understood. Spectral Finite Element Method: Wave Propagation, Health Monitoring and Control in Composite and Functionally Graded Structures focuses on some of the wave propagation and transient dynamics problems with this complex media which had previously been thought unmanageable.

By using state-off-the-art computational power, the Spectral Finite Element Method (SFEM) can solve many practical engineering problems. This book is the first to apply SFEM to inhomogeneous and anisotropic structures in a unified and systematic manner. The authors discuss the different types of SFEM for regular and damaged 1-D and 2-D waveguides, various solution techniques, different methods of detecting the presence of damages and their locations, and different methods available to actively control the wave propagation responses. The theory is supported by tables, figures and graphs; all the numerical examples are so designed to bring out the essential wave behaviour in these complex structures. Some case studies based on real-world problems are also presented.

This book is intended for senior undergraduate students and graduate students studying wave propagation in structures, smart structures, spectral finite element method and structural health monitoring. Readers will gain a complete understanding of how to formulate a spectral finite element; learn about wavebehaviour in inhomogeneous and anisotropic media; and, discover how to design some diagnostic tools for monitoring the health or integrity of a structure. This important contribution to the engineering mechanics research community will also be of value to researchers and practicing engineers in structural integrity.

Molecular Approach to Solids, Volume 23 (Hardcover): A.N. Lazarev Molecular Approach to Solids, Volume 23 (Hardcover)
A.N. Lazarev; Edited by J.R. Durig
R6,237 Discovery Miles 62 370 Ships in 10 - 15 working days

The current volume in the series "Vibrational Spectra and Structure" is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. "Molecular Approaches to Solids" has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants.

Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies.

Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.

Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 23 (Hardcover): G. Davidson, E.A.V. Ebsworth Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 23 (Hardcover)
G. Davidson, E.A.V. Ebsworth
R10,086 Discovery Miles 100 860 Ships in 18 - 22 working days

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

Angle-Resolved Photoemission Spectroscopy on High-Temperature Superconductors - Studies of Bi2212 and Single-Layer FeSe Film... Angle-Resolved Photoemission Spectroscopy on High-Temperature Superconductors - Studies of Bi2212 and Single-Layer FeSe Film Grown on SrTiO3 Substrate (Hardcover, 1st ed. 2016)
Junfeng He
R3,193 Discovery Miles 31 930 Ships in 18 - 22 working days

This book mainly focuses on the study of the high-temperature superconductor Bi2Sr2CaCu2O8+ (Bi2212) and single-layer FeSe film grown on SrTiO3 (STO) substrate by means of angle-resolved photoemission spectroscopy (ARPES). It provides the first electronic evidence for the origin of the anomalous high-temperature superconductivity in single-layer FeSe grown on SrTiO3 substrate. Two coexisted sharp-mode couplings have been identified in superconducting Bi2212. The first ARPES study on single-layer FeSe/STO films has provided key insights into the electronic origin of superconductivity in this system. A phase diagram and electronic indication of high Tc and insulator to superconductor crossover have been established in the single-layer FeSe/STO films. Readers will find essential information on the techniques used and interesting physical phenomena observed by ARPES.

Progress in Nano-Electro-Optics VII - Chemical, Biological, and Nanophotonic Technologies for Nano-Optical Devices and Systems... Progress in Nano-Electro-Optics VII - Chemical, Biological, and Nanophotonic Technologies for Nano-Optical Devices and Systems (Hardcover, 2010 ed.)
Motoichi Ohtsu
R2,652 Discovery Miles 26 520 Ships in 18 - 22 working days

This book focuses on chemical and nanophotonic technology to be used to develop novel nano-optical devices and systems. It begins with temperature- and photo-induced phase transition of ferromagnetic materials. Further topics include: energy transfer in artificial photosynthesis, homoepitaxial multiple quantum wells in ZnO, near-field photochemical etching and nanophotonic devices based on a nonadiabatic process and optical near-field energy transfer, respectively and polarization control in the optical near-field for optical information security. Taken as a whole, this overview will be a valuable resource for engineers and scientists working in the field of nano-electro-optics. Written for: Scientists, optical engineers and graduate students

Emerging Non-Volatile Memories (Hardcover, 2014 ed.): Seungbum Hong, Orlando Auciello, Dirk Wouters Emerging Non-Volatile Memories (Hardcover, 2014 ed.)
Seungbum Hong, Orlando Auciello, Dirk Wouters
R3,957 R3,427 Discovery Miles 34 270 Save R530 (13%) Ships in 10 - 15 working days

This book is an introduction to the fundamentals of emerging non-volatile memories and provides an overview of future trends in the field. Readers will find coverage of seven important memory technologies, including Ferroelectric Random Access Memory (FeRAM), Ferromagnetic RAM (FMRAM), Multiferroic RAM (MFRAM), Phase-Change Memories (PCM), Oxide-based Resistive RAM (RRAM), Probe Storage, and Polymer Memories. Chapters are structured to reflect diffusions and clashes between different topics. Emerging Non-Volatile Memories is an ideal book for graduate students, faculty, and professionals working in the area of non-volatile memory. This book also: Covers key memory technologies, including Ferroelectric Random Access Memory (FeRAM), Ferromagnetic RAM (FMRAM), and Multiferroic RAM (MFRAM), among others. Provides an overview of non-volatile memory fundamentals. Broadens readers' understanding of future trends in non-volatile memories.

Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 22 (Hardcover, Edition.): G. Davidson, E.A.V.... Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 22 (Hardcover, Edition.)
G. Davidson, E.A.V. Ebsworth
R10,083 Discovery Miles 100 830 Ships in 18 - 22 working days

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

Mass Spectrometry - Volume 10 (Hardcover): M.E. Rose Mass Spectrometry - Volume 10 (Hardcover)
M.E. Rose
R10,071 Discovery Miles 100 710 Ships in 18 - 22 working days

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.

Dynamics and Mechanism of DNA-Bending Proteins in Binding Site Recognition (Hardcover, 1st ed. 2017): Yogambigai Velmurugu Dynamics and Mechanism of DNA-Bending Proteins in Binding Site Recognition (Hardcover, 1st ed. 2017)
Yogambigai Velmurugu
R3,320 Discovery Miles 33 200 Ships in 10 - 15 working days

Using a novel approach that combines high temporal resolution of the laser T-jump technique with unique sets of fluorescent probes, this study unveils previously unresolved DNA dynamics during search and recognition by an architectural DNA bending protein and two DNA damage recognition proteins. Many cellular processes involve special proteins that bind to specific DNA sites with high affinity. How these proteins recognize their sites while rapidly searching amidst ~3 billion nonspecific sites in genomic DNA remains an outstanding puzzle. Structural studies show that proteins severely deform DNA at specific sites and indicate that DNA deformability is a key factor in site-specific recognition. However, the dynamics of DNA deformations have been difficult to capture, thus obscuring our understanding of recognition mechanisms. The experiments presented in this thesis uncover, for the first time, rapid (~100-500 microseconds) DNA unwinding/bending attributed to nonspecific interrogation, prior to slower (~5-50 milliseconds) DNA kinking/bending/nucleotide-flipping during recognition. These results help illuminate how a searching protein interrogates DNA deformability and eventually "stumbles" upon its target site. Submillisecond interrogation may promote preferential stalling of the rapidly scanning protein at cognate sites, thus enabling site-recognition. Such multi-step search-interrogation-recognition processes through dynamic conformational changes may well be common to the recognition mechanisms for diverse DNA-binding proteins.

Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 21 (Hardcover, Edition.): G. Davidson, E.A.V.... Spectroscopic Properties of Inorganic and Organometallic Compounds - Volume 21 (Hardcover, Edition.)
G. Davidson, E.A.V. Ebsworth
R10,090 Discovery Miles 100 900 Ships in 18 - 22 working days

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

Advanced Techniques in Gas Chromatography-Mass Spectrometry (GC-MS-MS and GC-TOF-MS) for Environmental Chemistry, Volume 61... Advanced Techniques in Gas Chromatography-Mass Spectrometry (GC-MS-MS and GC-TOF-MS) for Environmental Chemistry, Volume 61 (Hardcover)
Imma Ferrer, Michael E. Thurman
R6,574 Discovery Miles 65 740 Ships in 10 - 15 working days

Gas chromatography mass spectrometry (GC-MS) has been the technique of choice of analytical scientists for many years. The latest developments in instrumentation, including tandem mass spectrometry (MS-MS) and time-of-flight (TOF) detectors, have opened up and broadened the scope of environmental analytical chemistry.

This book summarizes the major advances and relevant applications of GC-MS techniques over the last 10 years, with chapters by leading authors in the field of environmental chemistry. The authors are drawn from academia, industry and government.

The book is organized in three main parts. Part I covers applications of basic GC-MS to solve environmental-related problems. Part II focuses on GC-MS-MS instrumentation for the analyses of a broad range of analysis in environmental samples (pesticides, persistent organic pollutants, endocrine disruptors, etc.). Part III covers the use of more advanced GC-MS techniques using low- and high-resolution mass spectrometry for many applications related to the environment, food and industry.
Summarizes the major advances of GC-MS techniques in the last decadePresents relevant applications of GC-MS techniquesCovers academic, industrial and governmental sectors

Topological States on Interfaces Protected by Symmetry (Hardcover, 2015 ed.): Ryuji Takahashi Topological States on Interfaces Protected by Symmetry (Hardcover, 2015 ed.)
Ryuji Takahashi
R2,653 Discovery Miles 26 530 Ships in 18 - 22 working days

In this book, the author theoretically studies two aspects of topological states. First, novel states arising from hybridizing surface states of topological insulators are theoretically introduced. As a remarkable example, the author shows the existence of gapless interface states at the interface between two different topological insulators, which belong to the same topological phase. While such interface states are usually gapped due to hybridization, the author proves that the interface states are in fact gapless when the two topological insulators have opposite chiralities. This is the first time that gapless topological novel interface states protected by mirror symmetry have been proposed. Second, the author studies the Weyl semimetal phase in thin topological insulators subjected to a magnetic field. This Weyl semimetal phase possesses edge states showing abnormal dispersion, which is not observed without mirror symmetry. The author explains that the edge states gain a finite velocity by a particular form of inversion symmetry breaking, which makes it possible to observe the phenomenon by means of electric conductivity.

Spectroscopy Essentials: Volume I (Hardcover): Allegra Smith Spectroscopy Essentials: Volume I (Hardcover)
Allegra Smith
R3,263 R2,953 Discovery Miles 29 530 Save R310 (10%) Ships in 18 - 22 working days
Debye Screening Length - Effects of Nanostructured Materials (Hardcover, 2014 ed.): Kamakhya Prasad Ghatak, Sitangshu... Debye Screening Length - Effects of Nanostructured Materials (Hardcover, 2014 ed.)
Kamakhya Prasad Ghatak, Sitangshu Bhattacharya
R4,821 Discovery Miles 48 210 Ships in 10 - 15 working days

This monograph solely investigates the Debye Screening Length (DSL) in semiconductors and their nano-structures. The materials considered are quantized structures of non-linear optical, III-V, II-VI, Ge, Te, Platinum Antimonide, stressed materials, Bismuth, GaP, Gallium Antimonide, II-V and Bismuth Telluride respectively. The DSL in opto-electronic materials and their quantum confined counterparts is studied in the presence of strong light waves and intense electric fields on the basis of newly formulated electron dispersion laws that control the studies of such quantum effect devices. The suggestions for the experimental determination of 2D and 3D DSL and the importance of measurement of band gap in optoelectronic materials under intense built-in electric field in nano devices and strong external photo excitation (for measuring photon induced physical properties) have also been discussed in this context. The influence of crossed electric and quantizing magnetic fields on the DSL and the DSL in heavily doped semiconductors and their nanostructures has been investigated. This monograph contains 150 open research problems which form the integral part of the text and are useful for both PhD students and researchers in the fields of solid-state sciences, materials science, nano-science and technology and allied fields in addition to the graduate courses in modern semiconductor nanostructures.

Electron Spin Resonance - Volume 11A (Hardcover): M.C.R. Symons Electron Spin Resonance - Volume 11A (Hardcover)
M.C.R. Symons
R10,017 Discovery Miles 100 170 Ships in 18 - 22 working days

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.

Mass Spectrometry Imaging - Principles and Protocols (Hardcover, 2010): Stanislav S. Rubakhin, Jonathan V. Sweedler Mass Spectrometry Imaging - Principles and Protocols (Hardcover, 2010)
Stanislav S. Rubakhin, Jonathan V. Sweedler
R2,797 Discovery Miles 27 970 Ships in 18 - 22 working days

Mass spectrometry (MS) offers unmatched capabilities for the detection, characterization, and identification of a broad range of analytes. Mass spectrometry imaging (MSI) integrates MS data with information on the spatial distributions of the analytes, further enhancing the applicability of MS. In Mass Spectrometry Imaging: Principles and Protocols, expert practitioners from academia, industry, and the clinic contribute cutting-edge protocols describing the application of MSI to investigations of analyte localization in a variety of specimens, from microorganisms to plant and animal tissues. Divided into three sections, this volume presents the principles of MS, current and future trends of MSI, and qualitative and quantitative protocols to measure and identify endogenous metabolites and xenobiotics. An array of MSI approaches and technologies for characterizing peptide and protein distributions are described in detail. Written in the highly successful Methods in Molecular Biology (TM) series format, protocol chapters include introductions to their respective topics, lists of the necessary materials and reagents, and step-by-step, readily reproducible laboratory procedures. Also included are notes providing tips to avoid experimental pitfalls and helpful suggestions for method troubleshooting. Comprehensive and up-to-date, Mass Spectrometry Imaging: Principles and Protocols is written for scientists, biological and chemical engineers, and clinicians who are interested in applying MSI in their work and those who would benefit from having detailed experimental guidelines available in a single, convenient source.

Basic Gas Chromatography-Mass Spectrometry - Principles and Techniques (Hardcover): F.W. Karasek, R.E. Clement Basic Gas Chromatography-Mass Spectrometry - Principles and Techniques (Hardcover)
F.W. Karasek, R.E. Clement
R1,250 Discovery Miles 12 500 Ships in 10 - 15 working days

The book begins by covering the basic principles of both gas chromatography (GC) and mass spectrometry (MS) to the extent necessary to understand and deal with the data generated in a GC-MS analysis. The focus then turns to the particular requirements created by a direct combination of these two techniques into a single instrumentation system. The data generated and their use are covered in detail. The role of the computer and its specific software receives special attention, especially in the matter of compound identification via mass spectral search techniques. GC-MS-computer instrumentation has reached such a plateau of excellence today that the present commercial systems will not be obsolete for a long time to come. Therefore, a detailed description of these systems is not only informative but is also pertinent to the subject matter of this book. Finally, representative applications and results obtained with GC-MS-computer techniques are presented and chosen in such a way as to permit extrapolation of specific applications to similar problems encountered by the reader. To aid the reader in mastering the subject matter and increase understanding, interpretation problems and suggested readings are included. The format is instructional, informative and application-oriented with material presented in such a way as to be useful to a broad spectrum of people.
The book serves as a text in its own right.
The software package Gas Chromatography-Mass Spectrometry: A Knowledge Base, by F.A. Settle, Jr. and M.A. Pleva provides rapid access to a wealth of current information in the GC-MS field. Its three diskettes (51/4 inch) allow the user three ways to access: the index mode, the tree mode and a keyword search mode. The package may be purchased separately and is available for the IBM-PC and compatibles.
The software provides a valuable supplement to the book.

Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory (Hardcover, 2013 ed.): Laura Ratcliff Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory (Hardcover, 2013 ed.)
Laura Ratcliff
R2,637 Discovery Miles 26 370 Ships in 18 - 22 working days

The development of linear-scaling density functional theory (LS-DFT) has made ab initio calculations on systems containing thousands of atoms possible. These systems range from nanostructures to biomolecules. These methods rely on the use of localized basis sets, which are optimised for the representation of occupied Kohn-Sham states but do not guarantee an accurate representation of the unoccupied states. This is problematic if one wishes to combine the power of LS-DFT with that of theoretical spectroscopy, which provides a direct link between simulation and experiment. In this work a new method is presented for optimizing localized functions to accurately represent the unoccupied states, thus allowing theoretical spectroscopy of large systems. Results are presented for optical absorption spectra calculated using the ONETEP code, but the method is equally applicable to other spectroscopies and LS formulations. Other topics covered include a study of some simple one dimensional basis sets and the presentation of two methods for band structure calculation using localized basis sets, both of which have important implications for the use of localized basis sets within LS-DFT.

Coherent Semiconductor Optics - From Basic Concepts to Nanostructure Applications (Hardcover, 2007 ed.): Torsten Meier, Peter... Coherent Semiconductor Optics - From Basic Concepts to Nanostructure Applications (Hardcover, 2007 ed.)
Torsten Meier, Peter Thomas, Stephan W. Koch
R1,447 Discovery Miles 14 470 Ships in 18 - 22 working days

This book introduces the basic theoretical concepts required for the analysis of the optical response of semiconductor systems in the coherent regime. It is the most instructive textbook on the theory and optical effects of semiconductors. The entire presentation is based on a one-dimensional tight-binding model. Starting with discrete-level systems, increasing complexity is added gradually to the model by including band-structure and many-particle interaction. Various linear and nonlinear optical spectra and temporal phenomena are studied. The analysis of many-body effects in nonlinear optical phenomena covers a major part of the book.

Mass Spectrometry - Volume 9 (Hardcover, Edition.): M.E. Rose Mass Spectrometry - Volume 9 (Hardcover, Edition.)
M.E. Rose
R10,077 Discovery Miles 100 770 Ships in 18 - 22 working days

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.

Moessbauer Spectroscopy - Proceedings of the Fifth Seeheim Workshop, held in Seeheim, Germany, 21-25 May 2002 (Hardcover): P.... Moessbauer Spectroscopy - Proceedings of the Fifth Seeheim Workshop, held in Seeheim, Germany, 21-25 May 2002 (Hardcover)
P. Gutlich, B.W. Fitzsimmons, R. Ruffer, H. Spiering
R4,226 Discovery Miles 42 260 Ships in 18 - 22 working days

Following the long-standing tradition of the Seeheim-Workshops on M ssbauer Spectroscopy, 1978, 1983, 1988, 1994 always held in the same traditional place of the Lufthansa Training Center in Seeheim/Germany, the 5th workshop took place in 2002. The main topics covered are:
-new technical developments such as the techniques of Nuclear Inelastic Scattering (NIS) and Nuclear Forward Scattering (NFS) of Synchrotron Radiation and their applications in studying lattice dynamics, magnetism and surface phenomena;
-investigations of molecular structural and bonding properties in biomolecules and coordination compounds;
-problems related to geochemistry and earth sciences;
-applications of M ssbauer spectroscopy in molecular magnetism and photomagnetism.
The book will serve as a source of great actuality to physicists, chemists and geoscientists employing the M ssbauer effect and other hyperfine interaction techniques to explore solid state properties of bulk materials as well as surface phenomena.

Advances in Atomic Spectroscopy, Volume 7 (Hardcover): J. Sneddon Advances in Atomic Spectroscopy, Volume 7 (Hardcover)
J. Sneddon
R8,484 Discovery Miles 84 840 Ships in 10 - 15 working days

Volume 7 continues the tradition of previous volumes in this series by presenting cutting-edge and current advances in atomic spectroscopy. This volume focuses on the application of atomic spectroscopy particularly ICPMS, with an emphasis in the area of clinical and biological samples
New techniques such as double focusing and field-flow fractionation ICP-MS are presented. Other areas such as laser induced breakdown spectrometry and new applications of graphite furnace AAS are included. A major theme of many of the chapters is speciation, which is the hottest topic in elemental determination at present.
.Focuses on cutting-edge advances in atomic spectroscopy
.Contributors are leaders in their fields
.Can be used in conjunction with the other books in the series or as a stand-alone title

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