This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum chemical simulations. In this way, the detailed balance between inter-chain attraction and conformational flexibility can be quantified. The investigations are complemented by measurements of perfluoroalkanes and similarities and differences between the compounds are discussed. Furthermore, Nils Luttschwager determines the stiffnesses (elastic moduli) of two of the most common industrial polymers: polyethylene and polytetrafluorethylene. He uses in this thesis a sophisticated extrapolation to calculate this value from quantities of their building blocks, showing that the single polymer molecules can be as stiff as a rod of steel.

This volume collects a a number of contributions on spontaneous symmetry breaking. Current studies in this general field are going ahead at a full speed. The book present review chapters which give an overview on the major break throughs of recent years. It covers a number of different physical settings which are introduced when a nonlinearity is added to the underlying symmetric problems and its strength exceeds a certain critical value. The corresponding loss of symmetry, called spontaneous symmetry breaking, alias self-trapping into asymmetric states is extensively discussed in this book. The book presents both active theoretical studies of spontaneous symmetry breaking effects as well as experimental findings, chiefly for Bose-Einstein-Condensates with the self-repulsive nonlinearity, and also for photorefractive media in optics.

The application of molecules in technological devices hinges on the proper understanding of their behavior on metallic electrodes or substrates. The intrinsic molecular electronic and magnetic properties are modified at a metallic interface, and greatly depend on the atomic configuration of the molecule-metal bond. This poses certain problems, such as the lack of reproducibility in the transport properties of molecular junctions, but also offers the possibility to induce new charge and spin configurations that are only present at the interface. The results presented in this thesis address this issue, providing a comprehensive overview of the influence of molecule-metal and molecule-molecule interactions on the electronic and magnetic properties of molecules adsorbed on metallic substrates. Using metal-phthalocyanines (MePc), a commonly used metal-organic complex as a model system, each chapter explores different aspects of the interaction with silver surfaces: the local adsorption geometry, self-assembly, the modifications of the electronic and magnetic characteristics due to hybridization and charge transfer, and finally the manipulation of molecular charge and spin states by electron doping using alkali atoms moved with the STM tip.

This book presents the latest developments in noncontact atomic force microscopy. It deals with the following outstanding functions and applications that have been obtained with atomic resolution after the publication of volume 2: (1) Pauli repulsive force imaging of molecular structure, (2) Applications of force spectroscopy and force mapping with atomic resolution, (3) Applications of tuning forks, (4) Applications of atomic/molecular manipulation, (5) Applications of magnetic exchange force microscopy, (6) Applications of atomic and molecular imaging in liquids, (7) Applications of combined AFM/STM with atomic resolution, and (8) New technologies in dynamic force microscopy. These results and technologies are now expanding the capacity of the NC-AFM with imaging functions on an atomic scale toward making them characterization and manipulation tools of individual atoms/molecules and nanostructures, with outstanding capability at the level of molecular, atomic, and subatomic resolution. Since the publication of vol. 2 of the book Noncontact Atomic Force Microscopy in 2009 the noncontact atomic force microscope, which can image even insulators with atomic resolution, has achieved remarkable progress. The NC-AFM is now becoming crucial for nanoscience and nanotechnology.

"The book comprehensively covers all the current and the emerging areas of the physics and the technology of high permittivity gate dielectric materials, including, topics such as MOSFET basics and characteristics, hafnium-based gate dielectric materials, Hf-based gate dielectric processing, metal gate electrodes, flat-band and threshold voltage tuning, channel mobility, high-k gate stack degradation and reliability, lanthanide-based high-k gate stack materials, ternary hafnia and lanthania based high-k gate stack films, crystalline high-k oxides, high mobility substrates, and parameter extraction. Each chapter begins with the basics necessary for understanding the topic, followed by a comprehensive review of the literature, and ultimately graduating to the current status of the technology and our scientific understanding and the future prospects." .

This book presents an overview of material-specific factors that influence Tc and give rise to diverse Tc values for copper oxides and iron-based high- Tc superconductors on the basis of more than 25 years of experimental data, to most of which the author has made important contributions. The book then explains why both compounds are distinct from others with similar crystal structure and whether or not one can enhance Tc, which in turn gives a hint on the unresolved pairing mechanism. This is an unprecedented new approach to the problem of high-temperature superconductivity and thus will be inspiring to both specialists and non-specialists interested in this field. Readers will receive in-depth information on the past, present, and future of high-temperature superconductors, along with special, updated information on what the real highest Tc values are and particularly on the possibility of enhancing Tc for each member material, which is important for application. At this time, the highest Tc has not been improved for 20 years, and no new superconductors have been discovered for 5 years. This book will encourage researchers as well as graduate-course students not to give up on the challenges in the future of high- Tc superconductivity.

The study of quantum disorder has generated considerable research activity in mathematics and physics over past 40 years. While single-particle models have been extensively studied at a rigorous mathematical level, little was known about systems of several interacting particles, let alone systems with positive spatial particle density. Creating a consistent theory of disorder in multi-particle quantum systems is an important and challenging problem that largely remains open. Multi-scale Analysis for Random Quantum Systems with Interaction presents the progress that had been recently achieved in this area. The main focus of the book is on a rigorous derivation of the multi-particle localization in a strong random external potential field. To make the presentation accessible to a wider audience, the authors restrict attention to a relatively simple tight-binding Anderson model on a cubic lattice Zd. This book includes the following cutting-edge features: an introduction to the state-of-the-art single-particle localization theory an extensive discussion of relevant technical aspects of the localization theory a thorough comparison of the multi-particle model with its single-particle counterpart a self-contained rigorous derivation of both spectral and dynamical localization in the multi-particle tight-binding Anderson model. Required mathematical background for the book includes a knowledge of functional calculus, spectral theory (essentially reduced to the case of finite matrices) and basic probability theory. This is an excellent text for a year-long graduate course or seminar in mathematical physics. It also can serve as a standard reference for specialists.

This book provides the most updated information of how membrane lipids mediate protein signaling from studies carried out in animal and plant cells. Also, there are some chapters that go beyond and expand these studies of protein-lipid interactions at the structural level. The book begins with a literature review from investigations associated to sphingolipids, followed by studies that describe the role of phosphoinositides in signaling and closing with the function of other key lipids in signaling at the plasma membrane and intracellular organelles.

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

Advances in the synthesis of new materials with often complex, nano-scaled structures require increasingly sophisticated experimental techniques that can probe the electronic states, the atomic magnetic moments and the magnetic microstructures responsible for the properties of these materials. At the same time, progress in synchrotron radiation techniques has ensured that these light sources remain a key tool of investigation, e.g. synchrotron radiation sources of the third generation are able to support magnetic imaging on a sub-micrometer scale. With the Sixth Mittelwihr School on Magnetism and Synchrotron Radiation the tradition of teaching the state-of-the-art on modern research developments continues and is expressed through the present set of extensive lectures provided in this volume. While primarily aimed at postgraduate students and newcomers to the field, this volume will also benefit researchers and lecturers actively working in the field.

The minimum temperature in the natural universe is 2.7 K. Laboratory refrigerators can reach temperatures in the microkelvin range. Modern industrial refrigerators cool foods at 200 K, whereas space mission payloads must be capable of working at temperatures as low as 20 K. Superconducting magnets used for NMR work at 4.2 K. Hence the properties of materials must be accurately known also at cryogenic temperatures. This book provides a guide for engineers, physicists, chemists, technicians who wish to approach the field of low-temperature material properties. The focus is on the thermal properties and a large spectrum of experimental cases is reported. The book presents updated tables of low-temperature data on materials and a thorough bibliography supplements any further research. Key Features include: Degrees Detailed technical description of experiments Degrees Description of the newest cryogenic apparatus Degrees Offers data on cryogenic properties of the latest new materials Degrees Current reference review

This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.

First volume of a 40-volume series on nanoscience and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about Raman spectroscopy for the characterization of nanomaterials. Modern applications and state-of-the-art techniques are covered and make this volume essential reading for research scientists in academia and industry.

This book is intended to give technological background and practical examples, but also to give general insight into the on-going technology development in the area of biodetection. The content is therefore suitable for an array of stakeholders (decision makers, purchasing officers, etc.) and end-users of biodetection equipment within the areas of health, environment, safety and security, and military preparation. The book is divided into three sections. The first section discusses the fundamental physical and biological properties of bioaerosol's. The second section goes into more detail and discusses in-depth the most commonly used detection principles. The third section of the book is devoted to technologies that have been used in standoff applications. The last section of the book gives an overview of trends in bioaerosol detection. The reader of this book will gain knowledge about the different biodetection technologies and thus better judge their capabilities in relation to desired applications.

Since the publishing of the first edition, the methodologies and instrumentation involved in the field of mass spectrometry-based proteomics has improved considerably. Fully revised and expanded, Mass Spectrometry Data Analysis in Proteomics, Second Edition presents expert chapters on specific MS-based methods or data analysis strategies in proteomics. The volume covers data analysis topics relevant for quantitative proteomics, post translational modification, HX-MS, glycomics, and data exchange standards, among other topics. Written in the highly successful Methods in Molecular Biology series format, chapters include brief introductions to their respective subjects, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Updated and authoritative, Mass Spectrometry Data Analysis in Proteomics, Second Edition serves as a detailed guide for all researchers seeking to further our knowledge in the field of proteomics.

This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

This volume on Ultrafast Magnetism is a collection of articles presented at the international "Ultrafast Magnetization Conference" held at the Congress Center in Strasbourg, France, from October 28th to November 1st, 2013. This first conference, which is intended to be held every two years, received a wonderful attendance and gathered scientists from 27 countries in the field of Femtomagnetism, encompassing many theoretical and experimental research subjects related to the spins dynamics in bulk or nanostructured materials. The participants appreciated this unique opportunity for discussing new ideas and debating on various physical interpretations of the reported phenomena. The format of a single session with many oral contributions as well as extensive time for poster presentations allowed researchers to have a detailed overview of the field. Importantly, one could sense that, in addition to studying fundamental magnetic phenomena, ultrafast magnetism has entered in a phase where applied physics and engineering are playing an important role. Several devices are being proposed with exciting R&D perspectives in the near future, in particular for magnetic recording, time resolved magnetic imaging and spin polarized transport, therefore establishing connections between various aspects of modern magnetism. Simultaneously, the diversity of techniques and experimental configurations has flourished during the past years, employing in particular Xrays, visible, infra-red and terahertz radiations. It was also obvious that an important effort is being made for tracking the dynamics of spins and magnetic domains at the nanometer scale, opening the pathway to exciting future developments. The concerted efforts between theoretical and experimental approaches for explaining the dynamical behaviors of angular momentum and energy levels, on different classes of magnetic materials, are worth pointing out. Finally it was unanimously recognized that the quality of the scientific oral and poster presentations contributed to bring the conference to a very high international standard.

The behavior of nanoscale materials can change rapidly with time either because the environment changes rapidly or because the influence of the environment propagates quickly across the intrinsically small dimensions of nanoscale materials. Extremely fast time resolution studies using X-rays, electrons and neutrons are of very high interest to many researchers and is a fast-evolving and interesting field for the study of dynamic processes. Therefore, in situ structural characterization and measurements of structure-property relationships covering several decades of length and time scales (from atoms to millimeters and femtoseconds to hours) with high spatial and temporal resolutions are crucially important to understand the synthesis and behavior of multidimensional materials. The techniques described in this book will permit access to the real-time dynamics of materials, surface processes and chemical and biological reactions at various time scales. This book provides an interdisciplinary reference for research using in situ techniques to capture the real-time structural and property responses of materials to surrounding fields using electron, optical and x-ray microscopies (e.g. scanning, transmission and low-energy electron microscopy and scanning probe microscopy) or in the scattering realm with x-ray, neutron and electron diffraction.

This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light. The methods described in the book "Laser photodissociation and spectroscopy of mass-separated biomolecular ions" make use of the fact that the discrete energy and fast time scale of photoexcitation can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. The book describes how the powerful separation capabilities and sensitivity of mass spectrometry (MS) can be combined with the structural insights from spectroscopy by measuring vibrational and electronic spectra of trapped analytes. The implementation of laser-based photodissociation techniques in MS requires basic knowledge of tunable light sources and ion trapping devices. This book introduces the reader to key concepts and approaches in molecular spectroscopy, and the light sources and ion traps employed in such experiments. The power of the methods is demonstrated by spectroscopic interrogation of a range of important biomolecular systems, including peptides, proteins, and saccharides, with laser light in the ultraviolet-visible, and infrared range. The book "Laser photodissociation and spectroscopy of mass-separated biomolecular ions" is an indispensable resource for students and researchers engaged or interested in this emerging field. It provides the solid background of key concepts and technologies for the measurements, discusses state-of-the-art experiments, and provides an outlook on future developments and applications.

This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes. Molecular systems, from the simplest H2 molecule to polymers or biological macromolecules, constitute central objects of interest for Physics, Chemistry and Biology, and despite the broad range of phenomena that they exhibit, they share some common behaviors. One of the most significant of those is that many of the processes involving chemical transformation (nuclear reorganization, bond breaking, bond making) take place in an extraordinarily short time, in or around the femtosecond temporal scale (1 fs = 10-15 s). A number of experimental approaches - very particularly the developments in the generation and manipulation of ultrashort laser pulses - coupled with theoretical progress, provide the ultrafast scientist with powerful tools to understand matter and its interaction with light, at this spatial and temporal scale. This book is an attempt to reunite some of the state-of-the-art research that is being carried out in the field of ultrafast molecular science, from theoretical developments, through new phenomena induced by intense laser fields, to the latest techniques applied to the study of molecular dynamics.

The study of nonlinear localized excitations is a long-standing challenge for research in basic and applied science, as well as engineering, due to their importance in understanding and predicting phenomena arising in nonlinear and complex systems, but also due to their potential for the development and design of novel applications. This volume is a compilation of chapters representing the current state-of-the-art on the field of localized excitations and their role in the dynamics of complex physical systems.

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.

This volume presents new developments in the field of mass spectrometry imaging, covering imaging, software, data analysis, new instrumentations, and new methodological approaches. Chapters provide detailed operational instructions from sample preparation to method selection, from comparative quantification to structural identification and from data collection to visualization of small molecule mapping in complex samples. Written in the highly 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 laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Mass Spectrometry Imaging of Small Molecules aims to to bring the rapidly maturing methods of metabolic imaging to life science researchers and to minimize technical intimidation in adapting new technological platforms in biological research.

Plasmons - quantized plasma oscillations at the interface of a metal and a dielectric allow for novel applications in sensing and micro-electronics. This graduate textbook introduces the required aspects of classical electrodynamics as well as basics of free electron plasmas. Further, the creation of polaritons due to plasmon interaction with light is discussed. Besides theory, computational methods for electrodynamics are introduced.

Originally published in 1937, this book is the first of two volumes discussing the spectra of the various atomic elements. Volume One addresses series spectra, as well as the Stark effect and Moseley's Law. This book will be of value to anyone with an interest in the history of science.