NMR Spectroscopy for Chemical Analysis at Low Magnetic Fields, by Stefan Gloeggler, Bernhard Blumich, Stephan Appelt Dynamic Nuclear Hyperpolarization in Liquids, by Ulrich L. Gunther NMR with Multiple Receivers, by Eriks Kupce TROSY NMR Spectroscopy of Large Soluble Proteins, by Yingqi Xu, Stephen Matthews Solid-State NMR Spectroscopy of Proteins, by Henrik Muller, Manuel Etzkorn, Henrike Heise Paramagnetic Solid-State Magic-Angle Spinning NMR Spectroscopy, by Guido Pintacuda, Gwendal Kervern

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).

Photochromism is the reversible phototransformation of a chemical species between two forms having different absorption spectra. During the phototransformation not only the absorption spectra but also various physicochemical properties change, such as the refractive index, dielectric constant, oxidation/reduction potential, and geometrical structure. The property changes can be applied to photonic equipment such as erasable memory media, photo-optical switch components, and display devices. This book compiles the accomplishments of the research project titled "New Frontiers in Photochromism" supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan. The project focused not only on the above-mentioned classical subjects in photochromism, such as color changes, optical memory, and optical switches, but also on fundamental physicochemical studies and unprecedented application fields that have not yet been explored in photochromism. The latter topics include light-driven mechanical motion, photocontrol of surface wettability, metal deposition on solid materials, photocontrol of chiral properties, ultrafast decoloration dyes, and femtosecond laser experiments, among others.

The study of quantum fluids, stimulated by the discovery of superfluidity in liquid helium, has experienced renewed interest after the observation of Bose-Einstein condensation (BEC) in ultra-cold atomic gases and the observation a new type of quantum fluid with specific characteristics derived from its intrinsic out-of-equilibrium nature. The main objective of this book is to take a snapshot of the state-of-the-art of this fast moving field with a special emphasis on the hot topics and new trends. Bringing together the most active specialists of the two areas (atomic and polaritonic quantum fluids), we expect that this book will facilitate the exchange and the collaboration between these two communities working on subjects with very strong analogies.

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.

This book highlights current approaches and future trends in the use of mass spectrometry to characterize protein therapies. As one of the most frequently utilized analytical techniques in pharmaceutical research and development, mass spectrometry has been widely used in the characterization of protein therapeutics due to its analytical sensitivity, selectivity, and specificity. This book begins with an overview of mass spectrometry techniques as related to the analysis of protein therapeutics, structural identification strategies, quantitative approaches, followed by studies involving characterization of process related protein drug impurities/degradants, metabolites, higher order structures of protein therapeutics. Both general practitioners in pharmaceutical research and specialists in analytical sciences will benefit from this book that details step-by-step approaches and new strategies to solve challenging problems related to protein therapeutics research and development.

This volume contains the proceedings of the 5th International Symposium on Symmetries in Subatomic Physics (SSP2012), that was held in Groningen, The Netherlands from 18 till 22 June 2012. This sequence of symposia is now firmly connected with one of the main branches in fundamental nuclear and particle physics, i.e. in searches for physics beyond the Standard Model, focused on the (violation of) the discrete symmetries of Parity, Charge conjugation and Time reversal invariance. This field comes in various disguises: With large experimental facilities and large collaborations, as in LHC physics or in neutrino experiments, but also as table top experiments by small groups in the field of nuclear, atomic and molecular physics, such as in searches for a permanent electric dipole moments and atomic parity violation.

Bringing the practitioners of these divergent fields together gives a coherent overview and see the complementarities of the various approaches to the same question: why is the Standard Model what it is and what lies beyond it.

This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possible way, with the working details of a specific technique.

This thesis investigates the transitions from one electronically excited state to another. Such processes - the fastest of events in chemistry - can be studied with femtosecond resolution, and Thomas S. Kuhlman approaches the question both with experimental and theoretical methods. His approach contributes to explain processes of high importance to all scientific fields concerned with the interaction between light and matter: the deactivation of the electronically excited states after excitation. Thomas S. Kuhlman concludes in this thesis that the electronic transition proceeds before the entire set of available degrees of freedom are active - 'It is as simple as that' !

These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.

In this book, a modern unified theory of dispersion forces on atoms and bodies is presented which covers a broad range of different aspects and scenarios. Macroscopic quantum electrodynamics is applied within the context of dispersion forces. In contrast to the normal-mode quantum electrodynamics traditionally used to study dispersion forces, the new approach allows to consider realistic material properties including absorption and is flexible enough to be applied to a broad range of geometries. Thus general properties of dispersion forces like their non-additivity and the relation between microscopic and macroscopic dispersion forces are discussed. It is demonstrated how the general results can be used to obtain dispersion forces on atoms in the presence of bodies of various shapes and materials. In particular, nontrivial magnetic properties of the bodies, bodies of irregular shapes, the role of material absorption, and dynamical forces for excited atoms are discussed. This volume 2 deals especially with quantum electrodynamics, dispersion forces, Casimir forces, asymptotic power laws, quantum friction and universal scaling laws. The book gives both the specialist and those new to the field a thorough overview over recent results in the context of dispersion forces. It provides a toolbox for studying dispersion forces in various contexts.

The modern vision of the micromechanism of friction and wear is explored, from the examination of ideal and real crystal structure and adhesion properties to the dynamics of solid frictional interaction. The fundamental quantum-mechanical and relativity principles of particle interaction are considered as basis of friction micro-process examination. The changes in solid structure originated from the influence of different kinds of force fields are considered. The principal possibility of relativity effect manifestation by friction is explained. The critical state of friction - triboplasma - was studied. Structural peculiarities of triboplasma, the kinetics of its transformation during frictional interaction as well as the influence of plasma and postplasma processes on tribojunction friction characteristics and complex formation by friction were examined. The book addresses to tribology researchers.

For the research scientist without formal training in optics and spectroscopy, learning how to make multichannel spectroscopic measurements can be a toilsome, piecemeal affair, requiring extensive reading in original literature and specialized works outside his or her area of expertise. To add to the difficulties, such an undertaking, without proper guidance, invariably leads to countless hours wasted puzzling through a maze of unnecessary mathematics and technical dead ends. Thus, the enterprising analytical chemist or research scientist is often daunted in his or her efforts to learn how to choose and develop the right tools for the job, only to fall back on "leaving it up to the experts." Now, Multielement Detection Systems for Spectrochemical Analysis makes it possible for readers to rapidly develop the knowledge and skills they need to select, use, and tailor appropriate instrumentation for their spectroscopic analyses. One way it achieves those aims is through its unique, step-by-step format. Offering clear, concise explanations, it begins with basic concepts and principles, such as diffraction, interference, and multiplexing, and advances to more complex considerations in optics, transform techniques, solid-state physics, television technology, electron optics, and array-detector technology. And just as importantly, while other works in the field cover either fundamental principles or instrumentation, Multielement Detection Systems for Spectrochemical Analysis offers a balanced, unified treatment of both. It is both an excellent introduction to spectrographic fundamentals, and a comprehensive guide to image detection technology. Requiring only an undergraduate familiarity withelectronics and the principles of atomic absorption and emission spectrochemical instrumental analysis, this in-depth introduction and comprehensive guide follows a consistently clear, succinct style. Throughout, the level of mathematical complexity is kept to a minimum. Multielement Detection Systems for Spectrochemical Analysis is an essential tool for analytical chemists, as well as physicists, engineers, and anyone engaged in research in which optical spectroscopy is used.

The fundamental properties of deep luminescence centres in Si associated with transition metals such as Cu, Ag, Au, and Pt have been a focus of interest for decades, both as markers for these deleterious contaminants, and also in the quest for efficient Si-based light emission. This dissertation presents the results of ultra-high resolution photoluminescence studies of these centres in specially prepared, highly enriched 28-Si samples. The greatly improved spectral resolution due to this enrichment led to the discovery of isotopic fingerprints. These fingerprints have revealed that the detailed constituents of all of the centres previously studied had been identified incorrectly. They also revealed the existence of several different families of impurity complexes containing either four or five atoms chosen from Li, Cu, Ag, Au, and Pt. These centres' constituents have been determined, together with no-phonon transition energies, no-phonon isotope shifts, local vibrational mode energies, and the isotope shifts of the local vibrational mode energies. The data presented here for these centres should prove useful for the currently sought theoretical explanations of their formation, stability, and properties.

About the book: This book is the first comprehensive review on acoustic metamaterials; novel materials which can manipulate sound waves in surprising ways, which include collimation, focusing, cloaking, sonic screening and extraordinary transmission. It covers both experimental and theoretical aspects of acoustic and elastic waves propagating in structured composites, with a focus on effective properties associated with negative refraction, lensing and cloaking. Most related books in the field address electromagnetic metamaterials and focus on numerical methods, and little (or no) experimental section. Each chapter will be authored by an acknowledged expert, amongst the topics covered will be experimental results on non-destructive imaging, cloaking by surface water waves, flexural waves in thin plates. Applications in medical ultrasound imaging and modeling of metamaterials will be emphasized too. The book can serve as a reference for researchers who wish to build a solid foundation of wave propagation in this class of novel materials.

This book provides an excellent overview on the most recent results on the industrial applications of Mossbauer spectroscopy attained on the fields of nanotechnology, metallurgy, biotechnology and pharmaceutical industry, applied mineralogy, energy production industry (coal, oil, nuclear, solar, etc.), computer industry, space technology, electronic and magnetic devices technology, ion implantation technology, including topics like characterization of novel construction materials, electronic components and magnetic materials, composite materials, colloids, amorphous and nanophase materials, small particles, coatings, interfaces, thin films and multilayers, catalysis, corrosion, tribology, surface modification, hydrogen storage, ball milling, radiation effects, electrochemistry, batteries, etc. From the various reports a broad overview emerges illustrating that the method can successfully be applied in a wide variety of topics.
Previously published in the journal Hyperfine Interactions.

Ambient Ionization Mass Spectrometry in Life Sciences: Principles and Applications is a systematic introduction to this rapidly expanding area of study. Underlying principles of each technique are explained in detail, along with discussions on their applications across life science disciplines. Ambient ionization has recently emerged as one of the hottest and fastest growing topics in mass spectrometry, hence this book is not just for analysts and researchers who use and study mass spectrometry. This volume would be of interest to anyone who works in or studies analytical chemistry, omics sciences (including metabolomics), pharmacokinetics, forensic science or drug analysis.

This thesis represents the first wide-field photometric and spectroscopic survey of star clusters in the nearby late-spiral galaxy M33. This system is the nearest example of a dwarf spiral galaxy, which may have a unique role in the process of galaxy formation and evolution. The cold dark matter paradigm of galaxy formation envisions large spiral galaxies, such as the Milky Way, being formed from the merger and accretion of many smaller dwarf galaxies. The role that dwarf spiral galaxies play in this process is largely unclear. One of the goals of this thesis is to use the star cluster population of M33 to study its formation and evolution from its early stages to the present. The thesis presents a new comprehensive catalog of M33 star clusters, which includes magnitudes, colors, structural parameters, and several preliminary velocity measurements. Based on an analysis of these data, the thesis concludes that, among other things, the evolution of M33 has likely been influenced by its nearby massive neighbor M31.

Tutorials on Moessbauer Spectroscopy Since the discovery of the Moessbauer Effect many excellent books have been published for researchers and for doctoral and master level students. However, there appears to be no textbook available for final year bachelor students, nor for people working in industry who have received only basic courses in classical mechanics, electromagnetism, quantum mechanics, chemistry and materials science. The challenge of this book is to give an introduction to Moessbauer Spectroscopy for this level. The ultimate goal of this book is to give this audience not only a scientific introduction to the technique, but also to demonstrate in an attractive way the power of Moessbauer Spectroscopy in many fields of science, in order to create interest among the readers in joining the community of Moessbauer spectroscopists. This is particularly important at times where in many Moessbauer laboratories succession is at stake. This book will be used as a textbook for the tutorial sessions, organized at the occasion of the 2011 International Conference on the Application of Moessbauer Spectroscopy (ICAME2011) in Tokyo.

Photophysics of Carbon Nanotubes Interfaced with Organic and Inorganic Materials describes physical, optical and spectroscopic properties of the emerging class of nanocomposites formed from carbon nanotubes (CNTs) interfacing with organic and inorganic materials. The three main chapters detail novel trends in photophysics related to the interaction of light with various carbon nanotube composites from relatively simple CNT/small molecule assemblies to complex hybrids such as CNT/Si and CNT/DNA nanostructures. The latest experimental results are followed up with detailed discussions and scientific and technological perspectives to provide a through coverage of major topics including: -Light harvesting, energy conversion, photoinduced charge separation and transport in CNT based nanohybrids -CNT/polymer composites exhibiting photoactuation; and -Optical spectroscopy and structure of CNT/DNA complexes. Including original data and a short review of recent research, Photophysics of Carbon Nanotubes Interfaced with Organic and Inorganic Materials makes this emerging field of photophysics and its applications available to academics and professionals working with carbon nanotube composites in fundamental and applied fields

The properties and nature of water clusters studied with novel spectroscopic approaches are presented in this thesis. Following a general introduction on the chemistry of water and water clusters, detailed descriptions of the experiments and analyses are given. All the experimental results, including first size-selective spectra of large clusters consisting of 200 water molecules, are presented with corresponding analyses. Hitherto unidentified hydrogen bond network structures, dynamics, and reactivity of various water clusters have been characterized at the molecular level. The main targets of this book are physical chemists and chemical physicists who are interested in water chemistry or cluster chemistry.

This Brief highlights the search for strain gradients and geometrically necessary dislocations as a possible source of strength for two cases of deformation of materials at small scales: nanoindented single crystal copper and uniaxially compressed single crystal submicron gold pillars. When crystalline materials are mechanically deformed in small volumes, higher stresses are needed for plastic flow. This has been called the "Smaller is Stronger" phenomenon and has been widely observed. studies suggest that plasticity in one case is indeed controlled by the GNDs (strain gradient hardening), whereas in the other, plasticity is not controlled by strain gradients or sub-structure hardening, but rather by dislocation source starvation, wherein smaller volumes are stronger because fewer sources of dislocations are available (dislocation starvation hardening).

A comprehensive treatment of the characterisation techniques used in investigating inorganic and organic molecules that interact with biomolecules is presented to the reader in a clear fashion. The work consists of two parts: (i) synthetic aspects of metallointercalators along with targeting and improving transport and (ii) the various techniques that are used for probing their interactions, such as; DNA-NMR, PGSE-NMR, DNA ESI-MS, Linear and Circular Dichroism, Fluorescence Spectroscopy, Confocal Microscopy, Viscosity, TGA and dialysis, Microarrays, biological analysis. Chapters are devoted to the synthesis and the techniques used to study the interactions of inorganic complexes with biomolecules. Considerably detailed examples are used to help illustrate the application of these techniques. This book is a useful resource for an array of inorganic and organic advanced undergraduate and graduate courses and for researchers in drug discovery.

Atomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channeling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.

Strain Effect in Semiconductors: Theory and Device Applications presents the fundamentals and applications of strain in semiconductors and semiconductor devices that is relevant for strain-enhanced advanced CMOS technology and strain-based piezoresistive MEMS transducers. Discusses relevant applications of strain while also focusing on the fundamental physics pertaining to bulk, planar, and scaled nano-devices. Hence, this book is relevant for current strained Si logic technology as well as for understanding the physics and scaling for future strained nano-scale devices.