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• Introduction.- Resonant X-Ray Scattering.- Introduction to Charge Order in the Cuprates.- Charge Order in (CaxLa1 x)(Ba1.75 xLa0.25+x)Cu3Oy Single Crystals.- Charge Order in YBa2Cu3O6+x Thin Flms.- Introduction to Antiferromagnetism in Ultrathin Nickelate Layers.- Coupling Between 3d and 4f Spin Sublattices in LaNiO3-Based Heterostructures.- Closing Statement.
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In this thesis chemical and epitaxial degrees of freedom are used to manipulate charge and spin ordering phenomena in two families of transition metal oxides, while taking advantage of state-of-the-art resonant x-ray scattering (RXS) methods to characterize their microscopic origin in a comprehensive manner. First, the relationship of charge density wave order to both magnetism and the "pseudogap" phenomenon is systematically examined as a function of charge-carrier doping and isovalent chemical substitution in single crystals of a copper oxide high-temperature superconductor. Then, in copper oxide thin films, an unusual three-dimensionally long-range-ordered charge density wave state is discovered, which persists to much higher temperatures than charge-ordered states in other high-temperature superconductors. By combining crystallographic and spectroscopic measurements, the origin of this phenomenon is traced to the epitaxial relationship with the underlying substrate. This discovery opens new perspectives for the investigation of charge order and its influence on the electronic properties of the cuprates. In a separate set of RXS experiments on superlattices with alternating nickel and dysprosium oxides, several temperature- and magnetic-field-induced magnetic phase transitions are discovered. These observations are explained in a model based on transfer of magnetic order and magneto-crystalline anisotropy between the Ni and Dy subsystems, thus establishing a novel model system for the interplay between transition-metal and rare-earth magnetism.
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• 1. Schroedinger Equation and Its Application.- 2. Quantum-Mechanical Harmonic Oscillator.- 3. Hydrogen-Like Atoms.- 4. Optical Transition and Selection Rules.- 5. Maxwell's Equations.- 6. Reflection and Transmission of Electromagnetic Waves in Dielectric Media.- 7. Light Quanta: Radiation and Absorption.- 8. Introductory Green's Functions.- 9. Vectors and Their Transformation.- 10. Canonical Forms of Matrices
• 11. Inner Product Space.- 12. Hermitian Operators and Unitary Operators.-13. Introductory Group Theory.-14. Symmetry Groups.-15. Representation Theory of Groups.-16. Applications of Group Theory to Physical Chemistry.
• (source: Nielsen Book Data)

This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists. .
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• 1. Introduction.- 2. Electrodynamics at Interface.- 3. Microscopic Expressions of Nonlinear Polarization.- 4. Two Computational Schemes of X(2).- 5. Molecular Theory of Local Field.- 6. Charge Response Kernel for Electronic Polarization.- 7. Quadrupole Contributions from Interface and Bulk.- 8. Other Topics.- 9.Applications: Aqueous Interfaces
• 10. Applications: Organic Interfaces. - Summary.
• (source: Nielsen Book Data)

• Intro; Preface; Contents; 1 Introduction; 1.1 Sum Frequency Generation; 1.2 Visible-Infrared SFG Vibrational Spectroscopy; 1.3 Solutions to Problems; 1.3.1 Inversion Symmetry of χ(2); 1.3.2 Time and Frequency Domains; 1.3.3 Red Shift of O-H Frequency; Bibliography; 2 Electrodynamics at Interface; 2.1 Electromagnetic Fields at Interface; 2.1.1 Maxwell Equations; 2.1.2 Boundary Conditions at Interface; 2.1.3 SFG Signal Emitted from Interface; 2.1.4 Fresnel Factor; 2.2 Response to Incident Lights; 2.3 Summary of Factors in SFG Spectra; 2.4 Solutions to Problems.

• 3.1.2 Features and Advantages(i) Ensemble of States; (ii) Partial System in Bath; 3.2 Perturbation Forms of Susceptibilities; 3.2.1 Perturbation Expansion of Density Matrix; 3.2.2 First-Order Susceptibility; 3.2.3 Second-Order Susceptibility; 3.3 Properties of χ(2); 3.3.1 Vibrational Resonance; 3.3.2 Relation to Molecular Orientation; Two Factors: Density and Orientation; Rotational Matrix; 3.3.3 Tensor Elements of χ(2) and Polarization; 3.4 Solutions to Problems; 3.4.1 Formulas for Mixed States; 3.4.2 Pure and Mixed States; 3.4.3 Derivation of χ(2); 3.4.4 Effective χ(2) Formula; Appendix.

• A.1 Off-Diagonal Elements of Density MatrixA. 2 Interaction Energy of Nonmagnetic Materials; A.3 Polarizability Approximation for Raman Tensor; Bibliography; 4 Two Computational Schemes of χ(2); 4.1 Energy Representation; 4.2 Examples of χ(2) Tensor and Orientation; 4.2.1 O-H Stretching; 4.2.2 C-H Stretching; 4.3 Time-Dependent Representation; 4.3.1 Time Correlation Function; 4.3.2 Classical Analogue; 4.4 Motional Effect on χ(2); 4.4.1 Relation of Two χ(2) Models; 4.4.2 Slow Limit and Fast Limit; 4.5 Solutions to Problems; 4.5.1 Polarization Ratios; 4.5.2 Canonical Time Correlation Function.

This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major bottleneck for most users. Recent advances in SFG theory have brought about a breakthrough in the analysis methods beyond conventional empirical ones, and molecular dynamics (MD) simulation of SFG spectroscopy allows for simultaneous understanding of observed spectra and interface structure in unprecedented detail. This book explains these recently understood theoretical aspects of SFG spectroscopy by the major developer of the theory. The theoretical topics are treated at basic levels for undergraduate students and are described in relation to computational chemistry, such as molecular modeling and MD simulation, toward close collaboration of SFG spectroscopy and computational chemistry in the near future.
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• 1. Introduction
• 2. The molecular nonlinear polarizability
• 3. Visualization of the molecular tensor
• 4. NLO properties of coupled oscillators and crystals
• 5. Second order nonlinear optical properties of proteins
• 6. Surface SHG and SFG
• 7. Chirality in nonlinear optics
• 8. Nonlinear optical ellipsometry
• 9. Bridging the local to laboratory frames in SHG and SFG microscopy
• 10. Polarization-dependent CARS/SRS microscopy
• 11. Hyper-Rayleigh scattering
• 12. Polarization-dependent single and multi-photon excited fluorescence of isotropic assemblies
• 13. 1PEF and 2PEF from uniaxial interfaces
• 14. 1PEF and 2PEF microscopy
• 15. Mueller tensors.
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This rigorous yet accessible guide presents a molecular-based description of nonlinear optical polarization analysis of chemical and biological assemblies. It includes discussion of the most common nonlinear optical microscopy and interfacial measurements used for quantitative analysis, specifically second harmonic generation (SHG), two-photon excited fluorescence (2PEF), vibrational sum frequency generation (SFG), and coherent anti-Stokes Raman spectroscopy/stimulated Raman spectroscopy (CARS/SRS). A linear algebra mathematical framework is developed, allowing step-wise systematic connections to be made between the observable measurements and the molecular response. Effects considered include local field corrections, the molecular orientation distribution, rotations between the molecular frame, the local frame and the laboratory frame, and simplifications from molecular and macromolecular symmetry. Specific examples are provided throughout the book, working from the common and relatively simple case studies through to the most general scenarios.
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• Chemistry is magic
• Magnets
• Glowsticks
• The meaning of magic
• Ancient magic was mostly chemistry
• The reactions I remember from when I was but a wee lad
• Atoms, elements, molecules, reactions
• Elements, molecules, reactions
• Energy
• The life of a bullet
• The arrow of time
• Entropy
• Fantastic reactions and where to find them
• In the classroom
• In the kitchen
• In the lab
• In a factory
• On the street
• In you
• On the origin of light and color
• Electromagnetic waves
• Sound waves and light waves
• Absorbing light
• Making light
• The ancient Chinese art of chemical arranging
• The wombat problem in chemistry
• The boring chapter
• Watching paint dry
• Watching grass grow
• Watching water boil
• The need for speed
• Weathering
• Fire
• Fast fire
• Detonation
• The fastest reaction of all.

With Reactions bestselling author Theodore Gray continues the journey through our molecular and chemical world that began with the tour de force The Elements and continued with Molecules. In The Elements, Gray gave us a never-before-seen, mesmerizing photographic view of the 118 elements in the periodic table. In Molecules, with the same phenomenal photographic acumen, plus beautifully rendered computer generated graphics, he showed us how the elements combine to form the content that makes up our universe, from table salt to oxygen to the panoply of colors and smells that surround us. At last, we've reached Reactions, in which Gray once again puts his photography and storytelling to work demonstrating how molecules interact in ways that are essential to our very existence. The book begins with a brief recap of elements and molecules and then goes on to explain important concepts the characterize a chemical reaction, including Energy, Entropy, and Time. It is then organized by type of reaction including Combustion, Photosynthesis, Respiration, Oxidation, and Fermentation. A special section dedicated to chemical cycles includes The Carbon Cycle, The Iron Cycle, and The Lime Cycle.
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• Review of Plasmon-Induced Hot-Electron Dynamics and Related SERS Chemical Effects / Gieseking, Rebecca L.; Ratner, Mark A.; Schatz, George C. / http://dx.doi.org/10.1021/bk-2016-1245.ch001
• Near-Field Interaction between Single Molecule and an Electromagnetic Field at “Hotspot” Generated by Plasmon Resonance / Itoh, Tamitake, Health Technology Research Center, National Institute of Advanced Industrial Science and Technology (AIST), Takamatsu, Kagawa 761-0395, Japan; Yamamoto, Yuko S., Research Fellow of the Japan Society for the Promotion of Science, Chiyoda, Tokyo 102-8472, Japan, Department of Advanced Materials Science, Faculty of Engineering, Kagawa University, Takamatsu, Kagawa 761-0396, Japan / http://dx.doi.org/10.1021/bk-2016-1245.ch002
• Patterning Surface-Enhanced Raman Scattering Substrates Obtained Using the Porous Character of Colloidal Microsphere Monolayer Templates / Ruan, Weidong, Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chunchon 24341, Korea, State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China; Zhou, Tieli, College of Food Science and Engineering, Changchun University, Changchun 130012, P. R. China; Wang, Xu, State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China; Jung, Young Mee, Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chunchon 24341, Korea; Zhao, Bing, State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China / http://dx.doi.org/10.1021/bk-2016-1245.ch003
• Truncated Power Law Analysis of Blinking SERS / Kitahama, Yasutaka / http://dx.doi.org/10.1021/bk-2016-1245.ch004
• 3D SERS Imaging / Vantasin, Sanpon; Ozaki, Yukihiro / http://dx.doi.org/10.1021/bk-2016-1245.ch005
• Exploring the Effect of Intermolecular Hydrogen Bonding and the Application in Label-Free Enantioselective Discrimination by SERS / Wang, Yue, State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China; Zhao, Bing, State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China; Ozaki, Yukihiro, Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan / http://dx.doi.org/10.1021/bk-2016-1245.ch006
• Advances in Biofunctional SERS-Active Nanoparticles for Future Clinical Diagnostics and Therapeutics / Asiala, Steven, These authors contributed equally to the manuscript.; Barrett, Lee, These authors contributed equally to the manuscript.; Mabbott, Samuel, These authors contributed equally to the manuscript.; Graham, Duncan / http://dx.doi.org/10.1021/bk-2016-1245.ch007
• Surface-Enhanced Raman Spectroscopy for the Characterization of Semiconductor Nanostructure Surfaces / Li, Xiaowei; Minamimoto, Hiro; Yasuda, Satoshi; Murakoshi, Kei / http://dx.doi.org/10.1021/bk-2016-1245.ch008
• Near-Infrared Excited Surface-Enhanced Raman and Hyper Raman Scattering for Microscopic Mapping of Biosamples / Kneipp, Janina, Humboldt-Universität zu Berlin, Department of Chemistry, Brook-Taylor-Str. 2, 12589 Berlin, Germany; Gühlke, Marina, Humboldt-Universität zu Berlin, Department of Chemistry, Brook-Taylor-Str. 2, 12589 Berlin, Germany; Heiner, Zsuzsanna, Humboldt-Universität zu Berlin, Department of Chemistry, Brook-Taylor-Str. 2, 12589 Berlin, Germany, Humboldt-Universität zu Berlin, School of Analytcial Sciences Adlershof, Albert-Einstein-Str. 5-9, 12489 Berlin, Germany / http://dx.doi.org/10.1021/bk-2016-1245.ch009
• Editors’ Biographies / http://dx.doi.org/10.1021/bk-2016-1245.ot001

• Recent developments in chiral inorganic nanostructures
• Metal oxide nanoparticles
• The recent developments in nanoparticle synthesis
• Recent developments in tuning the structural and functional properties of supported bimetallic nanoalloy catalysts
• Recent progress in scanning transmission electron microscope imaging and analysis: application to nanoparticles and 2D nanomaterials
• Microsphere Super-resolution Imaging
• Several recent designs or choices of nanomaterials for photocatalysis: Ag/AgCl composite, silicate and Bi2MoO6
• Biological Applications of Nanomaterials
• 2D Nanomaterials - Beyond Graphene
• Evolution of atomically precise clusters through the eye of mass spectrometry--.
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The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to more than half a million citations. Such a vast landscape of material requires careful examination to uncover the most important discoveries. Nanoscience, edited by Professor Paul O'Brien (University of Manchester) and Dr John Thomas (Bangor University), presents a critical and comprehensive assessment of the last twelve months of research and discussion. With contributions from around the globe, this series ensures readers will be well-versed in the latest research and methodologies. Chapters cover a range of topics, including `Mesocrystals', `Quantum dot synthesis', `Nano and energy storage' and `Beyond graphene'. Anyone practicing in a nano-allied field, or wishing to enter the nano-world, will benefit from the publication of this comprehensive resource annually.
(source: Nielsen Book Data)

• Modern TCSPC electronics - Principles and Acquisition Modes Michael Wahl
• Single-photon counting detectors for the visible range between 300 nm and 1000 nm Andreas Bulter
• Single-photon detectors for infrared wavelengths in the range 1 to 1.7 mum Gerald S. Buller and Robert J. Collins Modern pulsed diode laser sources for time-correlated photon counting Kristian Lauritsen, Sina Riecke#, Andreas Bulter, Thomas Schonau Advanced FCS: an Introduction to Fluorescence Lifetime Correlation Spectroscopy and Dual Focus FCS Thomas Dertinger and Steffen Ruttinger Lifetime-weighted FCS and 2D FLCS: Advanced application of time-tagged TCSPC Kunihiko Ishii, Takuhiro Otosu, and Tahei Tahara MFD-PIE and PIE-FI: Ways to extract more information with TCSPC Anders Barth, Lena Voith von Voithenberg, Don C. Lamb Photon Antibunching in Single Molecule Fluorescence Spectroscopy Kristin S. Grussmayer and Dirk-Peter Herten FLIM Strategies for Intracellular Sensing: Fluorescence Lifetime Imaging as a Tool to Quantify Analytes of Interest Maria J. Ruedas-Rama, Jose M. Alvarez-Pez, Luis Crovetto, Jose M. Paredes, Angel Orte Multiple-Pulse Pumping with Time-Gated Detection for Enhanced Fluorescence Imaging in Cells and Tissue Rafal Fudala, Ryan M. Rich, Joe Kimball, Ignacy Gryczynski, Sangram Raut, Julian Borejdo, Dorota L. Stankowska, Raghu R. Krishnamoorthy, Karol Gryczynski, Badri P. Maliwal, Zygmunt Gryczynski Pattern based linear un-mixing for efficient and reliable analysis of multi-component TCSPC-data Ingo Gregor and Matthias Patting Metal-Induced Energy Transfer Narain Karedla, Daja Ruhlandt, Anna M. Chizhik, Jorg Enderlein, Alexey I. Chizhik The importance of photon arrival times in STED microscopy Giuseppe Vicidomini Single color centers in diamond as single photon sources and quantum sensors Boris Naydenov and Fedor Jelezko Photon counting and timing in quantum optics experiments Andreas Ahlrichs, Benjamin Sprenger, Oliver Benson Photon counting in diffuse optical imaging Dirk Grosenick.
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This volume focuses on Time-Correlated Single Photon Counting (TCSPC), a powerful tool allowing luminescence lifetime measurements to be made with high temporal resolution, even on single molecules. Combining spectrum and lifetime provides a "fingerprint" for identifying such molecules in the presence of a background. Used together with confocal detection, this permits single-molecule spectroscopy and microscopy in addition to ensemble measurements, opening up an enormous range of hot life science applications such as fluorescence lifetime imaging (FLIM) and measurement of Forster Resonant Energy Transfer (FRET) for the investigation of protein folding and interaction. Several technology-related chapters present both the basics and current state-of-the-art, in particular of TCSPC electronics, photon detectors and lasers. The remaining chapters cover a broad range of applications and methodologies for experiments and data analysis, including the life sciences, defect centers in diamonds, super-resolution microscopy, and optical tomography. The chapters detailing new options arising from the combination of classic TCSPC and fluorescence lifetime with methods based on intensity fluctuation represent a particularly unique highlight.
(source: Nielsen Book Data)

• Preface
• Introduction
• Hierarchy of Terms in the Effective Hamiltonian
• Spectroscopic Perturbations: Homogeneous and Heterogeneous
• The Effective Hamiltonian for Diatomic Molecules
• Rotation of Polyatomic Molecules
• Quantum Beats.- The Effective Hamiltonian for Polyatomic Molecule Vibration
• Intramolecular Dynamics: Representations, Visualizations and Mechanisms.

• 3.6 Intensity Borrowed from a Nearby Bright State3.7 Intensity Borrowed from an Energetically Remote Bright State; 3.8 Intensity Interference Effects; References; 4 The Effective Hamiltonian for Diatomic Molecules; 4.1 Introduction; 4.2 Main Topics of This Lecture; 4.2.1 R-Dependence; 4.2.2 How Do We Account for Interactions with Energetically Remote States; 4.2.3 Van Vleck Transformation; 4.3 R-Dependence Is Encoded in v, J Dependence; 4.3.1 Transition Moments: μ (R) →Mv, v; 4.3.2 Centrifugal Distortion, De; 4.3.3 Vibration-Rotation Interaction, αe: A Small Surprise.

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.

• Random Variables.- Sequence of Independent Variables.- Langevin equation.- Fokker-Planck Equation I.- Fokker-Planck Equation II.- Markov Chains.- Master Equation I.- Master Equation II.- Phase Transitions and Criticality.- Reactive Systems.- Glauber Model.- Systems with Inversion Symmetry.- Systems with Absorbing States.- Population Dynamics.- Probabilistic Cellular automata.- Reaction-Diffusion Processes.- Random Sequential Adsoprtion.- Percolation.
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This textbook presents an exposition of stochastic dynamics and irreversibility. It comprises the principles of probability theory and the stochastic dynamics in continuous spaces, described by Langevin and Fokker-Planck equations, and in discrete spaces, described by Markov chains and master equations. Special concern is given to the study of irreversibility, both in systems that evolve to equilibrium and in nonequilibrium stationary states. Attention is also given to the study of models displaying phase transitions and critical phenomena both in thermodynamic equilibrium and out of equilibrium. These models include the linear Glauber model, the Glauber-Ising model, lattice models with absorbing states such as the contact process and those used in population dynamic and spreading of epidemic, probabilistic cellular automata, reaction-diffusion processes, random sequential adsorption and dynamic percolation. A stochastic approach to chemical reaction is also presented.The textbook is intended for students of physics and chemistry and for those interested in stochastic dynamics. It provides, by means of examples and problems, a comprehensive and detailed explanation of the theory and its applications.
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• Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces.- First-principles study of structure and stability in Si-C-O-based materials.- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein.- Preface to the ESPA-2012 special issue.- Br2 dissociation in water clusters: the catalytic role of water.- Low-energy nanoscale clusters of (TiC) n n = 6,
• 12: a structural and energetic comparison with MgO.- Alkyl mercury compounds: an assessment of DFT methods.- Simulating the optical properties of CdSe clusters using the RT-TDDFT approach.- Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with "mu-SCN" bridging ligands.- Exohedral interaction in cationic lithium metallofullerenes.- Isodesmic reaction for pK a calculations of common organic molecules.- Organometallic copper I, II or III species in an intramolecular dechlorination reaction.- A theoretical investigation of the CO2-philicity of amides and carbamides.- Electronic structure studies of diradicals derived from Closo-Carboranes.- Manipulating the singlet-triplet transition in ion strings by nonresonant dynamic Stark effect.- Cooperativity of hydrogen and halogen bond interactions.- MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers.- The one-electron picture in the Piris natural orbital functional 5 (PNOF5).- Theoretical study of the benzoquinone-tetrathiafulvalene-benzoquinone triad in neutral and oxidized/reduced states.- Structures and energetics of organosilanes in the gaseous phase: a computational study.- Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P) + NH3 reaction: a QCT and QM study.- A theoretical analysis of the magnetic properties of the low-dimensional copper(II)X2(2-X-3-methylpyridine)2 (X = Cl and Br) complexes.- Numerical investigation of the elastic scattering of hydrogen (isotopes) and helium at graphite (0001) surfaces at beam energies of 1 to 4 eV using a split-step Fourier method.- Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2.- On the transferability of fractional contributions to the hydration free energy of amino acids.
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This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
(source: Nielsen Book Data)

• Fabrication.- Formation Survey.- Porosity.- Structures & Forms.- Properties.- Property Survey.- Thermal.- Mechanical.- Transport.- Optical.- Electrical.- Magnetic.- Luminescent.- Chemical & Biochemical.- Characterization.- Structural.- Porosity.- Thermal.- Magnetic.- Chemical.- Biochemical.- Theoretical Techniques.- Irradiation.- Processessing.- Patterning.- Drying.- Epitaxy.- Thermal.- Impregnation.- Encapsulation.- Derivitization.- Particles.- Electrical Contacts.- Macroporous Silicon.- Applications.- Application Survey.- Electronic.- Microsystems.- Optics.- Acoustic.- Diagnostic.- Medical.- Energy Conversion.- Food & consumer Care.
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The Handbook of Porous Silicon brings together the expertise of a large, international team of almost 100 academic researchers, engineers and product developers from industry across electronics, medicine, nutrition and consumer care to summarize the field in its entirety with 150 chapters and 5000 references. The volume presents 5 parts which cover fabrication techniques, material properties, characterization techniques, processing and applications. Much attention was given in the past to its luminescent properties, but increasingly it is the biodegradability, mechanical, thermal and sensing capabilities that are attracting attention. The volume is divided into focussed data reviews with, wherever possible, quantitative rather than qualitative descriptions of both properties and performance. The book is targeted at undergraduates, postgraduates and experienced researchers.
(source: Nielsen Book Data)

• Molecular movies from molecular frame photoelectron angular distribution (MF-PAD) measurements.- XUV lasers for ultrafast electronic control in H2.- Ultrafast dynamics of hydrogen atoms in hydrocarbon molecules in intense laser fields: hydrogen atom migration and scrambling in methylacetylene.- Femtosecond photodissociation dynamics by velocity map imaging.- Time-resolved photoelectron spectroscopy for excited state dynamics.- Biomolecules, photostability and 1pisigma* states: linking this with femtochemistry.- Ultrafast laser-induced processes described by ab-initio molecular dynamics.-
• 8. Ultrafast ionization and fragmentation: from small molecules to proteomic analysis.- On the investigation of excited state dynamics with (pump-) degenerate four wave mixing.- Surface-aligned femtochemistry: Molecular reaction dynamics on oxide surfaces.- Optical diagnostics with ultrafast and strong field Raman techniques.
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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.
(source: Nielsen Book Data)

• M.D. Anderson Cancer Center, 1941-1949
• The Journey, January 29 to February 7, 1949
• Early Life and Education, London, 1903-1929
• Medical Physicist Part I, London, 1929-1944
• The Unknown Years and UNESCO, Paris, 1944-1948
• Replacing Radium, 1937-1949
• The Arrival, Houston, February 1949
• The Cobalt Unit, 1949-1954
• Medical Physicist Part II, Houston, 1949-1951
• Cobalt-60 and the Notebook
• Cobalt-60 in Perspective.

For the latter half of the 20th century, cobalt-60 units were the mainstay of radiation treatments for cancer. Cobalt Blues describes the development of the first cobalt-60 unit in the United States and the man behind it, Leonard Grimmett. Conceptually conceived before World War II, it only became possible because of the development of nuclear reactors during the war. Although Grimmett conceived of and published his ideas first, the Canadians built the first units because of the capability of their reactor to produce more suitable cobalt-60 sources. This book tells the story of how Grimmett and others came together at the time that the U S Atomic Energy Agency was pushing the use of radioactivity in medicine. Due to his sudden death, very little information about Grimmett was known until recently, when various documents have come to light, allowing the full story to be told.

"The journal is interdisciplinary, publishing work of international significance on all aspects of materials chemistry related to optical, magnetic and electronic devices, including (but not limited to): Display technologies: eg liquid crystals, LEDs, OLEDs; Optical materials: eg photonics, plasmonics, metamaterials; Electronics: eg printing technologies, transistors, semi-conductors; Information storage technology: eg memory devices, integrated nanostructured materials, switchable devices."

• Preface, Quantum Dot Synthesis, Bio Synthesis, Oxides, Indian Perspective, Mesocrystals, HRTEM, Graphene and Related Materials, China Perspective, Soft Lithography, Probe Microscopy.
• (source: Nielsen Book Data)

The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to a literature of more than half a million citations. Such a vast landscape of material requires careful searching to discover the most important discoveries. The newest edition to the Specialist Periodical Reports presents a digest of the last twelve months of the literature across the field. The volume editor, Professor Paul O'Brien (University of Manchester, UK) has drawn on some of the most active researchers to present critical and comprehensive reviews of the hottest topics in the field. Chapters include "Nanomaterials for solar energy", "Magnetic hyperthermia", and "Graphene and graphene-based nanocomposites". There is also a special chapter on "Nanoscience in India". Anyone practicing in any nano-allied field, or wishing to enter the nano-world will benefit from the comprehensive resource, which will be published annually.
(source: Nielsen Book Data)

• Preface, Quantum Dot Synthesis, Bio Synthesis, Oxides, Indian Perspective, Mesocrystals, HRTEM, Graphene and Related Materials, China Perspective, Soft Lithography, Probe Microscopy.
• (source: Nielsen Book Data)

The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to a literature of more than half a million citations. Such a vast landscape of material requires careful searching to discover the most important discoveries. The newest edition to the Specialist Periodical Reports presents a digest of the last twelve months of the literature across the field. The volume editor, Professor Paul O'Brien (University of Manchester, UK) has drawn on some of the most active researchers to present critical and comprehensive reviews of the hottest topics in the field. Chapters include "Nanomaterials for solar energy", "Magnetic hyperthermia", and "Graphene and graphene-based nanocomposites". There is also a special chapter on "Nanoscience in India". Anyone practicing in any nano-allied field, or wishing to enter the nano-world will benefit from the comprehensive resource, which will be published annually.
(source: Nielsen Book Data)

• Oxides
• Metals
• Energy and Nano
• Perspective on Photocatalytic Materials Chemistry in China
• Nanostructured Non-ITO Based Transparent Conducting Electrodes
• Nano Dimensional ZnO and its Application
• Nano in Water Splitting and Artificial Photosynthesis
• Nano in Batteries
• Indian Perspective.
• (source: Nielsen Book Data)

The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to a literature of more than half a million citations. Such a vast landscape of material requires careful searching to discover the most important discoveries. The introduction of the newest Specialist Periodical Report by the Royal Society of Chemistry: Nanoscience, provides a critical and comprehensive assesment of the most recent research and opinion. With contributions from across the globe, this new series ensures readers will be well-versed in the latest research and methodologies. Some chapters will also present a special focus in emerging countries contributing to the field, such as India and China. Anyone practicing in any nano-allied field, or wishing to enter the nano-world will benefit from the comprehensive resource, which will be published annually.
(source: Nielsen Book Data)

• Oxides
• Metals
• Energy and Nano
• Perspective on Photocatalytic Materials Chemistry in China
• Nanostructured Non-ITO Based Transparent Conducting Electrodes
• Nano Dimensional ZnO and its Application
• Nano in Water Splitting and Artificial Photosynthesis
• Nano in Batteries
• Indian Perspective.
• (source: Nielsen Book Data)

The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to a literature of more than half a million citations. Such a vast landscape of material requires careful searching to discover the most important discoveries. The introduction of the newest Specialist Periodical Report by the Royal Society of Chemistry: Nanoscience, provides a critical and comprehensive assesment of the most recent research and opinion. With contributions from across the globe, this new series ensures readers will be well-versed in the latest research and methodologies. Some chapters will also present a special focus in emerging countries contributing to the field, such as India and China. Anyone practicing in any nano-allied field, or wishing to enter the nano-world will benefit from the comprehensive resource, which will be published annually.
(source: Nielsen Book Data)

• Quantum Dots
• Quantum Dot-Fluorescence-Based Biosensing
• Quantum Dot-Electrochemiluminescence-Based Biosensing
• Quantum Dot-Electrochemical and Photoelectrochemical Biosensing.

Provides a broad introduction to all major aspects of quantum dot properties including fluorescence, electrochemical, photochemical and electroluminescence, with applications in areas such as biosensing, cell tracking, and in vivo animal imaging.

• Theory and Experiment -- why we need TDDFT. Short-Pulse Physics / Franck Lépine
• Spectroscopy in the Frequency Domain / Simo Huotari
• The Microscopic Description of a Macroscopic Experiment / Silvana Botti, Matteo Gatti
• Basic theory. Introduction to TDDFT / Eberhard K.U. Gross, Neepa T. Maitra
• Exact Conditions and Their Relevance in TDDFT / Lucas O. Wagner, Zeng-hui Yang, Kieron Burke
• Orbital Functionals / Stephan Kümmel
• Response Functions in TDDFT: Concepts and Implementation / David A. Strubbe, Lauri Lehtovaara, Angel Rubio, Miguel A.L. Marques, Steven G. Louie
• Memory: History, Initial-State Dependence, and Double-Excitations / Neepa T. Maitra
• Advanced concepts. Beyond the Runge-Gross Theorem / Michael Ruggenthaler, Robert van Leeuwen
• Open Quantum Systems: Density Matrix Formalism and Applications / David G. Tempel, Joel Yuen-Zhou, Alán Aspuru-Guzik
• Open Quantum Systems: A Stochastic Perspective / Heiko Appel
• Multicomponent Density-Functional Theory / Robert van Leeuwen, Eberhard K.U. Gross
• Quantum Optimal Control / Alberto Castro, Eberhard K.U. Gross
• Real-time dynamics. Non-Born-Oppenheimer Dynamics and Conical Intersections / Mark E. Casida, Bhaarathi Natarajan, Thierry Deutsch
• On the Combination of TDDFT with Molecular Dynamics: New Developments / José L. Alonso, Alberto Castro, Pablo Echenique, Angel Rubio
• Excited-State Properties and Dynamics / Dmitrij Rappoport, Jürg Hutter
• Electronic Transport / Stefan Kurth
• Atoms and Molecules in Strong Laser Fields / Carsten A. Ullrich, André D. Bandrauk
• Numerical aspects. The Liouville-Lanczos Approach to Time-Dependent Density-Functional (Perturbation) Theory / Stefano Baroni, Ralph Gebauer
• The Projector Augmented Wave Method / Lauri Lehtovaara
• Harnessing the Power of Graphic Processing Units / Xavier Andrade, Luigi Genovese
• TDDFT vs other theoretical techniques. Dispersion (van der Waals) Forces and TDDFT / John F. Dobson
• Nonlocal Van Der Waals Density Functionals Based on Local Response Models / Oleg A. Vydrov, Troy Van Voorhis
• Time-Dependent Current Density Functional Theory / Giovanni Vignale
• Time-Dependent Deformation Functional Theory / Ilya V. Tokatly
• Time-Dependent Reduced Density Matrix Functional Theory / Klaas J.H. Giesbertz, Oleg V. Gritsenko, Evert Jan Baerends.

There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms-such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706: "This is a well structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field." (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007) "This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters complement each other [...]. It is highly accessible to any graduate student of chemistry or physics with a solid grounding in many-particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. [...] In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf." Amazon.com, October 15, 2008, David Tempel (Cambridge, MA).
(source: Nielsen Book Data)

• Formulation of Nano-Biomaterials
• Handling and Processing of Nanopowders
• Processing and Stabilisation of Nanoparticle Suspensions
• Physical Chemistry at the Nanoscale
• Smart and Functional Materials in Formulations: Coatings, Films and Tapes
• Safety and Health Effects of Nanoscale Materials - Towards Sustainable and Safe Nanomaterials
• Subject Index.
• (source: Nielsen Book Data)

This book is as a result of the conference NanoFormulation 2011 held in Singapore as part of the ICMAT group of symposia. It covers advances in research, development and applications of innovative formulation technologies where nanomaterials play an essential role. With contributions from leading researchers and practitioners worldwide, the book is essential reading for scientists interested in the area of the nanoscale in formulations. Topics covered in the book include formulation of nano-biomaterials, handling and processing of nanopowders, processing and stabilisation of nanoparticle suspensions, physical chemistry at the nanoscale, smart and functional materials in formulations eg coatings, films and tapes and safety and health effects of nanoscale materials.
(source: Nielsen Book Data)

• Formulation of Nano-Biomaterials
• Handling and Processing of Nanopowders
• Processing and Stabilisation of Nanoparticle Suspensions
• Physical Chemistry at the Nanoscale
• Smart and Functional Materials in Formulations: Coatings, Films and Tapes
• Safety and Health Effects of Nanoscale Materials - Towards Sustainable and Safe Nanomaterials
• Subject Index.
• (source: Nielsen Book Data)

This book is as a result of the conference NanoFormulation 2011 held in Singapore as part of the ICMAT group of symposia. It covers advances in research, development and applications of innovative formulation technologies where nanomaterials play an essential role. With contributions from leading researchers and practitioners worldwide, the book is essential reading for scientists interested in the area of the nanoscale in formulations. Topics covered in the book include formulation of nano-biomaterials, handling and processing of nanopowders, processing and stabilisation of nanoparticle suspensions, physical chemistry at the nanoscale, smart and functional materials in formulations eg coatings, films and tapes and safety and health effects of nanoscale materials.
(source: Nielsen Book Data)

• Reconstruction of Wave-Particle Duality and its Implications
• for General Chemistry Textbooks
• Introduction
• A Brief Review of Textbook Analyses Based on a History
• and Philosophy of Science Perspective
• Historical Reconstruction of Wave-Particle Duality
• Wave-Particle Duality and its Origins
• Experimental Evidence to Support de Broglie's Theory
• De Broglie's Reputation as an Obstacle in the Acceptance
• of his Theory
• Einstein's Support of de Broglie's Ideas
• Why was it Schrödinger who Developed de Broglie's Ideas?
• Criteria for Evaluation of General Chemistry Textbooks
• Procedure for Applying the Criteria
• Criteria for Selection of Textbooks
• Evaluation of General Chemistry Textbooks: Results
• and Discussion
• Comparison of Textbooks Published in Different
• Time Periods
• Conclusions and Educational Implications
• Narrative in Future General Chemistry Textbooks
• Uncertainty in Scientific Progress
• Role of Historical Reconstructions
• Classroom Activities: Going Beyond the
• Historical Reconstruction
• vii
• Appendix A: List of General Chemistry Textbooks Analyzed
• in this Study (n = 128)
• Appendix B: Reliability of Evaluation of General Chemistry Textbooks
• Based on Inter-Rater Agreement
• References.

It goes without saying that atomic structure, including its dual wave-particle nature, cannot be demonstrated in the classroom. Thus, for most science teachers, especially those in physics and chemistry, the textbook is their key resource and their students' core source of information. Science education historiography recognizes the role played by the history and philosophy of science in developing the content of our textbooks, and with this in mind, the authors analyze more than 120 general chemistry textbooks published in the USA, based on criteria derived from a historical reconstruction of wave-particle duality. They come to some revealing conclusions, including the fact that very few textbooks discussed issues such as the suggestion, by both Einstein and de Broglie, and before conclusive experimental evidence was available, that wave-particle duality existed. Other large-scale omissions included de Broglie's prescription for observing this duality, and the importance of the Davisson-Germer experiments, as well as the struggle to interpret the experimental data they were collecting. Also untouched was the background to the role played by Schrödinger in developing de Broglie's ideas. The authors argue that rectifying these deficiencies will arouse students' curiosity by giving them the opportunity to engage creatively with the content of science curricula. They also assert that it isn't just the experimental data in science that matters, but the theoretical insights and unwonted inspirations, too. In addition, the controversies and discrepancies in the theoretical and experimental record are key drivers in understanding the development of science as we know it today.

• Conocimiento científico, ciencia escolar y enseñanza de las ciencias en la educación secundaria / Antonio de Pro
• Competencia científica y competencia profesional en la enseñanza de las ciencias / Pedro Cañal
• Las secuencias didácticas en la enseñanza y el aprendizaje de las ciencias : modelos para su diseño y validación / Digna Couso
• Las concepciones de 'modelo' de los alumnos, la construcción de modelos y el aprendizaje de las ciencias / Rosária Justi
• La enseñanza dialógica en la construcción del conocimiento físico y químico / Jaume Ametller
• Argumentación y uso de pruebas : construcción, evaluación y comunicación de explicaciones en Física y Química / María Pilar Jiménez-Aleixandre y Juan Ramón Gallástegui
• Los trabajos prácticos en Física y Química : interpretar e investigar / Aureli Caamaño
• Las tecnologías digitales en la enseñanza de la Física y de la Química / Roser Pintó
• Evaluar para aprender, evaluar para calificar / Neus Sanmartí.

• Naturaleza de la ciencia y construcción del conocimiento científico / Ana Rivero y Ana María Wamba
• Historia de la física y enseñanza de la Física / Jordi Solbes y Manel Traver
• Historia de la química y enseñanza de la Química / Mercè Izquierdo
• Fronteras del conocimiento y de la investigación en física / Josep Enric Llebot
• Fronteras del conocimiento y de la investigación en química / Àngel Messeguer
• Problemas ambientales y sostenibilidad / Daniel Gil y Amparo Vilches
• Las ciencias en la ESO desde la perspectiva de la alfabetización científica / María Jesús Martín-Díaz, María Sagrario Gutiérrez Julián
• La Química en el bachillerato : por una química en contexto / Aureli Caamaño
• La Física en el bachillerato : por una física más atractiva / Jordi Solbes
• Las Ciencias para el mundo contemporáneo en el bachillerato / Emilio Pedrinaci.

• Formación del profesorado de ciencias y buenas prácticas : el lugar de la innovación y la investigación didáctica / Vicente Mellado
• Unidades didácticas y proyectos de calidad en la enseñanza de la Física / Digna Couso, María Isabel Hernández, Roser Pintó, Fina Guitart, Octavi Plana
• Unidades didácticas y proyectos de calidad en la enseñanza de la Química / Aureli Caamaño y Fina Guitart
• Experimentos e investigaciones en Química / Josep Corominas
• Experimentos e investigaciones en Física / Antxon Anta y César Sancho
• El uso de sensores y equipos de captación de datos en los trabajos prácticos de Física y Química / Montserrat Tortosa y Julián Oro
• Simulaciones : herramientas para la enseñanza y el aprendizaje en Física y Química / Octavi Casellas y Fina Guitart
• La enseñanza y el aprendizaje de la terminología físico-química : magnitudes y símbolos / Aureli Caamaño y Glinda Irazoque
• El trabajo de investigación en el bachillerato y el proyecto de investigación en 4⁰ de educación secundaria obligatoria / Manel Belmonte
• El prácticum en el aula de ciencias (Física y Química) : orientaciones para el diseño, la experimentación y la evaluación de actividades / Antonio de Pro.

Imagine visiting a top-secret government lab, one that was a key site for the development of nuclear weapons and nuclear fusion technology in the twentieth century. Well, even in today's world of color-coded security levels, the doors of the Lawrence Livermore National Laboratory in California are open to you. And it's just one of the many surprising stops along the way in Duane S. Nickell's captivating new edition of the "Scientific Traveler" series, "Guidebook for the Scientific Traveler: Visiting Physics and Chemistry Sites across America". Are you in the mood for a trip to the Titan Missile Museum in Tucson? Want to spend some time at the Fermi National Accelerator Center near Chicago? Perhaps quench your thirst for knowledge and discovery at the Anheuser-Busch Brewery in St. Louis, where brewers are chemists at heart? Set your own pace. As an active participant or living room traveler, you'll be mesmerized as Nickell leads you on a tour of physics and chemistry sites. Written in an easy-to-read and accessible style, this comprehensive guide is a practical and fun way to promote scientific literacy. You'll meet some of the world's great physicists, engineers, and chemists as you turn pages filled with more than fifty photographs. Organized into chapters on individuals, places, and sites - from universities of science to national laboratories, particle accelerators to energy labs and beyond - Nickell illuminates the history of each topic and paints a panorama of stunning achievements in physics and chemistry. Whether you're traveling in California or Maine, or taking to the road in Texas or Illinois, Nickell helps complete your trip with a state-by-state list of monumental sites and resources. From the east coast to the west, north by northwest, or south in search of the Florida Solar Power Energy Center, you'll enjoy all your scientific travels with "Visiting Physics and Chemistry Sites across America".
(source: Nielsen Book Data)

• Fundamentals of Adsorption Equilibrium and Kinetics in Microporous Solids.- Measurement of Diffusion in Microporous Solids by Macroscopic Methods.- Diffusion Measurements by NMR Techniques.- Application of IR Spectroscopy, IR Microscopy, and Optical Interference Microscopy to Diffusion in Zeolites.- Investigation of Diffusion in Molecular Sieves by Neutron Scattering Techniques.- Frequency Response Measurements of Diffusion in Microporous Materials.- Positron Emission Profiling: a Study of Hydrocarbon Diffusivity in MFI Zeolites.- Single-File Diffusion in Zeolites.
• (source: Nielsen Book Data)

"Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions to this handbook-like series are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 is treating fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion, i.e. phenomena of basic importance, especially with respect to separation processes and catalysis. Various methods of measuring adsorption and diffusion are described and discussed, i.e. techniques such as chromatographic, gravimetric and barometric uptake and desorption, nuclear magnetic resonance, infrared spectroscopy, interference microscopy, neutron scattering, frequency response as well as proton profiling.
(source: Nielsen Book Data)

Computational simulations are an essential tool for the study of complex systems, ranging from biological relevant molecules, such as proteins or DNA, to spin glasses or the hot plasma inside nuclear fusion reactors. In the BIFI 2008 conference, leading scientists in these fields gathered to communicate and discuss the most recent findings with a wide audience of physicists, chemists and biologists.
(source: Nielsen Book Data)

This book will address the strong call for greater utilization of modern NMR in undergraduate education. There has yet been a book to note the numerous chemistry departments integrating NMR across their curricula. Researchers and educators are developing and implementing innovative experiments and pedagogies that are NMR-enabled. The proposed symposium series book will be the first publication to assemble and present these efforts, and will be a comprehensive resource for educators who wish to update their curricula with modern NMR experimentation. Significant progress has been made by educators in recent years to better incorporate modern NMR as an interdisciplinary tool for problem solving into first and second year courses such as general and organic chemistry; this book will report on and review many of these recent advances in first and second year chemistry. Significantly, the proposed book is explicitly designed as a comprehensive resource to educators. The book will help inform the evolution of chemistry curricula to better incorporate NMR as a tool for supporting interdisciplinary, contextual learning.
(source: Nielsen Book Data)

• Invited Papers: MOLECULAR SIMULATIONS OF GAS HYDRATE NUCLEATION
• EXTRATERRESTRIAL ICE WITH EMPHASIS ON AGGREGATION/ INTERACTION WITH ORGANIC MATTER: COLLISIONAL AND ACCRETIONAL PROPERTIES OF MODEL PARTICLES
• INTERACTIONS BETWEEN SNOW METAMORPHISM AND CLIMATE: PHYSICAL AND CHEMICAL ASPECTS
• ICE ADHESION AND ICE FRICTION MODIFICATION USING PULSED THERMAL POWER
• IMPROVING OUR UNDERSTANDING OF GAS HYDRATE FORMATION PROCESSES: THE IMPORTANCE OF MULTI-TECHNIQUE APPROACHES
• FAST THERMAL DESORPTION SPECTROSCOPY AND MICROCALORIMETRY: NEW TOOLS TO UNCOVER MYSTERIES OF ICE
• SELECTION FOR 'ICE RESISTANCE', ANTIFREEZE PROTEINS AND ICE OR HYDRATE INHIBITION
• Contributed Papers: RAMAN SCATTERING STUDY OF PROTON ORDERED ICE-XI SINGLE CRYSTAL
• ON THE PERFORMANCE OF SIMPLE PLANAR MODELS OF WATER IN THE VAPOR AND THE ICE PHASES
• PHASES OF SUPERCOOLED LIQUID WATER
• USING GAUSSIAN CURVATURE FOR THE 3D SEGMENTATION OF SNOW GRAINS FROM MICROTOMOGRAPHIC DATA
• ETHANOL HYDRATES FORMED BY GAS CONDENSATION: INVESTIGATIONS BY RAMAN SCATTERING AND X-RAY DIFFRACTION
• DISLOCATION PATTERNING AND DEFORMATION PROCESSES IN ICE SINGLE CRYSTALS DEFORMED BY TORSION--FORMATION OF CARBON DIOXIDE GAS HYDRATES IN FREEZING SEDIMENTS AND DECOMPOSITION KINETICS OF THE HYDRATES FORMED
• FIRST-PRINCIPLES STUDY OF BJERRUM DEFECTS IN ICE Ih: AN ANALYSIS OF FORMATION AND MIGRATION PROPERTIES
• FIRST-PRINCIPLES STUDY OF MOLECULAR POINT DEFECTS IN ICE Ih: INTERSTITIAL VS. VACANCY
• FROM ICE TO CO2 HYDRATES AND BACK - STUDY OF NUCLEATION AND INITIAL GROWTH USING SCANNING ELECTRON MICROSCOPY
• THE TEMPERATURE GRADIENT METAMORPHISM OF SNOW: MODEL AND FIRST VALIDATIONS USING X-RAY MICROTOMOGRAPHIC IMAGES
• SUM FREQUENCY GENERATION ON SINGLE-CRYSTALLINE ICE Ih
• MODELLING ICE Ic OF DIFFERENT ORIGIN AND STACKING-FAULTED HEXAGONAL ICE USING NEUTRON POWDER DIFFRACTION DATA
• FUNDAMENTAL STUDIES FOR A NEW H2 SEPARATION METHOD USING GAS HYDRATES
• SEGREGATION OF SALT IONS AT AMORPHOUS SOLID AND LIQUID SURFACES
• THEORETICAL STUDY ON GASES IN HEXAGONAL ICE INVESTIGATED BY THE MOLECULAR ORBITAL METHOD
• DEVELOPMENT OF IN SITU LOW TEMPERATURE INFRARED SPECTROSCOPY FOR A STUDY OF METHANE HYDRATE
• A MECHANISM FOR PHOTOCHEMICAL REACTIONS IN THE QUASI-LIQUID LAYER OF SNOW CRYSTALS IN POLAR REGIONS
• TOPOLOGICAL TRANSITIONS BETWEEN ICE PHASES
• THE IMPORTANCE OF O-O BONDING INTERACTIONS IN VARIOUS PHASES OF ICE
• THE CHEMICAL CHARACTER OF VERY HIGH PRESSURE ICE PHASES
• REAL-SPACE STUDY OF MECHANICAL INSTABILITY OF ICE XI ON A 'BOND-BY-BOND' BASIS
• WATER-VAPOR TRANSPORT IN SNOW WITH HIGH TEMPERATURE GRADIENT
• EXPERIMENTAL GEOSCIENCE IN A FREEZER: ICE AND ICY COMPOUNDS AS USEFUL EDUCATIONAL ANALOGUES FOR TEACHING EARTH AND PLANETARY MATERIALS SCIENCE AND THE PHYSICAL SCIENCES
• CLASSIFICATION OF LOW-ENERGY CONFIGURATIONS OF POLYHEDRAL WATER CLUSTERS FROM CUBE UP TO BACKMINSTERFULLERENE
• ENERGY OPTIMIZATION OF GAS HYDRATE FRAMEWORKS ON THE BASIS OF DISCRETE MODELS OF INTER-MOLECULAR INTERACTIONS
• MICROSTRUCTURE OF GAS HYDRATES IN POROUS MEDIA
• TACKLING THE PROBLEM OF HYDROGEN BOND ORDER AND DISORDER IN ICE
• THEORETICAL STUDY OF A HYDROXIDE ION WITHIN THE ICE-Ih LATTICE
• ATOMIC FORCE MICROSCOPY OF REARRANGING ICE SURFACES
• IONISATION OF HCl ON ICE AT VERY LOW TEMPERATURE
• EFFECTS OF LARGE GUEST SPECIES ON THERMODYNAMIC PROPERTIES OF STRUCTURE-H HYDRATES
• PREDICTION OF THE CELLULAR MICROSTRUCTURE OF SEA ICE BY MORPHOLOGICAL STABILITY THEORY
• THE PLANAR-CELLULAR TRANSITION DURING FREEZING OF NATURAL WATERS
• CRYSTAL GROWTH OF ICE-I/HYDRATE EUTECTIC BINARY SOLUTIONS
• X-RAY TOMOGRAPHIC CHARACTERIZATION OF IMPURITIES IN POLYCRYSTALLINE ICE
• EFFECTS OF ADDITIVES AND COOLING RATES ON CRYOPRESERVATION PROCESS OF RAT CORTICAL CELLS
• LABORATORY STUDIES OF THE FORMATION OF CUBIC ICE IN AQUEOUS DROPLETS
• HYDRATE PHASE TRANSFORMATIONS IMPOSED BY GAS EXCHANGE
• MECHANISM OF CAGE FORMATION DURING GROWTH OF CH4 AND Xe CLATHRATE HYDRATES: A MOLECULAR DYNAMICS STUDY
• GROWTH KINETICS ON INTERFACE BETWEEN { } PLANE OF ICE AND WATER INVESTIGATED BY A MOLECULAR DYNAMICS SIMULATION
• CHOOSING AN APPROPRIATE WATER MODEL FOR USE IN BIOMOLECULAR SIMULATIONS
• MICRO-RAMAN STUDY OF AIR CLATHRATE HYDRATES IN POLAR ICE FROM DOME FUJI, ANTARCTICA
• HIGH PRESSURE NMR OF HYDROGEN-FILLED ICES BY DIAMOND ANVIL CELL
• ON THE USE OF THE KIHARA POTENTIAL FOR HYDRATE EQUILIBRIUM CALCULATIONS
• A NEW STRUCTURE OF AMORPHOUS ICE PROMOTED BY RADIATIONS
• THE RADICAL CHEMISTRY IN IRRADIATED ICE
• SPEEDSKATE ICE FRICTION: REVIEW AND NUMERICAL MODEL - FAST 1.0
• FIRST PRINCIPLES COMPUTATIONAL STUDY OF HYDROGEN BONDS IN ICE Ih
• FREEZING OF WATER ON ?-Al2O3 SURFACES
• NEW HYDROGEN ORDERED PHASES OF ICE
• MICROSCOPIC OBSERVATION AND IN-SITU RAMAN STUDIES ON SOME SINGLE-CRYSTALLINE GAS HYDRATES UNDER HIGH PRESSURE
• CLATHRATE HYDRATE FORMATION AND GROWTH: EXPERIMENTAL OBSERVATIONS VERSUS PREDICTED BEHAVIOUR
• EFFECT OF SNOW ACCRETION TO THE GPS ANTENNA ON POSITIONING PERFORMANCE
• GAS HYDRATES IN THE SYSTEM H2-CH4 - H2O AT PRESSURES OF 4.5 TO 220 ??? AND CONCENTRATIONS OF 0 TO 70 MOL % ?2
• CHEMISTRY INDUCED BY IMPLANTATION OF REACTIVE IONS IN WATER ICE
• STRUCTURE H HYDRATE KINETICS STUDIED BY NMR SPECTROSCOPY
• DIELECTRIC RELAXATION OF ICE SAMPLES GROWN FROM VAPOR-PHASE OR LIQUID-PHASE WATER
• ESR OBSERVATION OF SELF-PRESERVATION EFFECT OF METHANE HYDRATE
• INVESTIGATION OF THE STRUCTURAL DISORDER IN ICE Ih USING NEUTRON DIFFRACTION AND REVERSE MONTE CARLO MODELLING
• FIRST-PRINCIPLES CALCULATION OF STRUCTURE AND DYNAMICAL PROPERTIES OF ORIENTATIONAL DEFECTS IN ICE
• EFFECTS OF ADDITIVES ON FORMATION RATES OF CO2 HYDRATE FILMS
• RIPPLE FORMATION MECHANISM ON ICICLES UNDER A THIN SHEAR FLOW
• MOLECULAR SIMULATIONS OF WATER FREEZING: BRINE REJECTION AND HOMOGENEOUS NUCLEATION
• IMPLICATIONS FOR AND FINDINGS FROM DEEP ICE CORE DRILLINGS - AN EXAMPLE: THE ULTIMATE TENSILE STRENGTH OF ICE AT HIGH STRAIN RATES
• ISOTHERMAL AMORPHOUS-AMORPHOUS-AMORPHOUS TRANSITIONS IN WATER
• MECHANICAL STRENGTH AND FLOW PROPERTIES OF ICE-SILICATE MIXTURE DEPENDING ON THE SILICATE CONTENTS AND THE SILICATE PARTICLE SIZES
• ADSORPTION OF ANTIFREEZE PROTEIN AND A COMMERCIAL LOW DOSAGE HYDRATE INHIBITIOR ON HYDROPHILIC AND HYDROPHOBIC SURFACES
• DIFFUSION, INCORPORATION, AND SEGREGATION OF ANTIFREEZE GLYCOPROTEINS AT THE ICE/SOLUTION INTERFACE
• Subject Index.
• (source: Nielsen Book Data)

Physics and Chemistry of Ice is an authoritative summary of state-of the-art research contributions from the world's leading scientists. A key selection of submissions from the 11th International Conference on the Physics and Chemistry of Ice, 2006 are presented here with a foreword by Werner F. Kuhs. An invaluable resource, this book provides researchers and professionals with up-to-date coverage on a wide range of areas in ice science including: * Spectroscopic and diffraction studies * Molecular dynamics simulations * Studies of Ice Mechanics * Quantum mechanical ab initio calculations * Ice and hydrate crystal growth and inhibition studies * Bulk and surface properties of ice and gas hydrates * Snow physics and chemistry This insight into topical aspects of ice research is a key point of reference for physicists, chemists, glaciologists, cryo-biologists and professionals working in the fields of ice and hydrogen bonding.
(source: Nielsen Book Data)

• I. Stochastic variables II. Random events III. Stochastic processes IV. Markov processes V. The master equation VI. One-step processes VII. Chemical reactions VIII. The Fokker-Planck equation IX. The Langevin approach X. The expansion of the master equation XI. The diffusion type XII. First-passage problems XIII. Unstable systems XIV. Fluctuations in continuous systems XV. The statistics of jump events XVI. Stochastic differential equations XVII. Stochastic behavior of quantum systems.
• (source: Nielsen Book Data)

The third edition of Van Kampen's standard work has been revised and updated. The main difference with the second edition is that the contrived application of the quantum master equation in section 6 of chapter XVII has been replaced with a satisfactory treatment of quantum fluctuations. Apart from that throughout the text corrections have been made and a number of references to later developments have been included. From the recent textbooks the following are the most relevant. C.W.Gardiner, Quantum Optics (Springer, Berlin 1991) D.T. Gillespie, Markov Processes (Academic Press, San Diego 1992) W.T. Coffey, Yu.P.Kalmykov, and J.T.Waldron, The Langevin Equation (2nd edition, World Scientific, 2004).
(source: Nielsen Book Data)

• PREFACE
• CHAPTER 1
• 1.1: Importance of Anions in the Modern World
• 1.2: The Challenges of Anion Complexation
• 1.3: Anions in Biological Systems
• 1.4: Historical Overview of Synthetic Anion Receptor Chemistry
• 1.5: Measurement Methods: Caveats and Limitations
• 1.6: Summary Remarks
• CHAPTER 2: Classic Charged Non-Metallic Systems
• 2.1: Polyammoniums
• 2.2: Quaternary Ammoniums
• 2.3: Guanidiniums
• 2.4: Amidiniums
• 2.5: Imidazoliums
• 2.6: Thiouronium
• 2.7: Summary Remarks
• CHAPTER 3: Protonated Expanded Porphyrins and Linear Analogues
• 3.1: Introduction
• 3.2: Cyclic Systems
• 3.3: Linear Receptors
• 3.4: Summary Remarks
• CHAPTER 4: Neutral Non-Metallic Systems
• 4.1: Amide-Based Anion Receptors
• 4.2: Peptide-Based Receptors
• 4.3: Urea-Based Anion Receptors
• 4.4: Alcohol-Based Anion Receptors
• 4.5: Hybrid Receptors
• 4.6: Other Systems
• 4.7: Summary Remarks
• CHAPTER 5: Neutral Pyrrole Systems
• 5.1: Introduction
• 5.2: Cyclic Receptors
• 5.3: Linear Receptors
• 5.4: Summary Remarks
• CHAPTER 6: Receptors for Ion Pairs
• 6.1: Introduction
• 6.2: Ditopic Receptors
• 6.3: Cascade Complexes
• 6.4: Receptors for Zwitterions
• 6.5: Dual Host Extraction of Salts
• 6.6: Summary Remarks
• CHAPTER 7: Metal and Lewis Acid Based Receptors
• 7.1: Lewis Acidic Receptors
• 7.2: Metals as Organizers
• 7.3: Other Anion Receptors Containing Metals
• 7.4: Summary Remarks
• CHAPTER 8: Sensors
• 8.1: Introduction
• 8.2: Devices that Employ Anion Selective Membranes
• 8.3: Discrete Molecular Electrochemical Anion Sensors
• 8.4: Discrete Molecular Optical Anion Sensors
• 8.5: Displacement Assays
• 8.6: Assays Based on Deaggregation Phenomena
• 8.7: Summary Remarks
• CHAPTER 9: Anion Controlled Assembly and Template-based Synthesis
• 9.1: Introduction
• 9.2: Halide Controlled Assemblies
• 9.3: Oxyanion Directed Assemblies
• 9.4: Polyfluoro-anion Directed Assemblies
• 9.5: Summary Remarks
• CHAPTER 10: Afterword.
• (source: Nielsen Book Data)

Anion recognition plays a critical role in a range of biological processes, and a variety of receptors and carriers can be found throughout the natural world. Chemists working in the area of supramolecular chemistry have created a range of anion receptors, drawing inspiration from nature as well as their own inventive processes. This book traces the origins of anion recognition chemistry as a unique sub-field in supramolecular chemistry while illustrating the basic approaches currently being used to effect receptor design. The combination of biological overview and summary of current synthetic approaches provides a coverage that is both comprehensive and comprehensible. First, the authors detail the key design motifs that have been used to generate synthetic receptors and which are likely to provide the basis for further developments. They also highlight briefly some of the features that are present in naturally occurring anion recognition and transport systems and summarise the applications of anion recognition chemistry. Providing as it does a detailed review for practitioners in the field and a concise introduction to the topic for newcomers, Anion Receptor Chemistry reflects the current state of the art. Fully referenced and illustrated in colour, it is a welcome addition to the literature.
(source: Nielsen Book Data)

• 1: Introduction
• 1.1: Clusters and nanoparticles
• 1.2: Feynman's vision--2: Bulk and interface
• 2.1: Gradients near surfaces
• 2.2: The coordination number rules the game
• 2.3: Surface science, a source of information
• for nanoscience 2.4: Particle size and microstrain
• 2.5: Biomimetics: nature as a source of inspiration for strategies in nanotechnology
• 3: Geometric structure, magic numbers, and coordination numbers of small clusters
• 3.1: The consequences of the range of the radial potential energy function
• 3.2: Magic numbers by geometric shells closing
• 3.3: Magic numbers by electronic shells closing
• 3.4: Cohesive energy and coordination number
• 4: Electronic structure
• 4.1: Discrete states versus band structure
• 4.2: The effects of dimensionality and symmetry in quantum structures
• 4.3: The nonmetal-to-metal transition
• 4.4: Work function, ionisation potential and electron affinity
• 4.5: Electronic structure of semiconductor and metal clusters
• 4.6: A semiconductor quantum dot electronic device
• 5: Magnetic properties
• 5.1: A brief primer on magnetism
• 5.2: The concept of frustration
• 5.3: Magnetic properties of small clusters
• 5.4: Ferromagnetic order in thin films and monoatomic chains
• 5.5: Finite size effects in magnetic resonance detection
• 6: Thermodynamics for finite size systems
• 6.1: Limitations of macroscopic thermodynamics
• 6.2: The basics of capillarity
• 6.3: Phase transitions of free liquid droplets
• 6.4: The Lotus effect
• 6.5: Classical nucleation theory
• 6.6: Shape control of nanocrystals
• 6.7: Size effects on ion conduction in solids
• 6.8: Principles of self-assembly
• 7: Adsorption, phase behaviour and dynamics of surface layers and in pores
• 7.1: Surface adsorption and pore condensation
• 7.2: Adsorption hysteresis and pore criticality
• 7.3: The melting point of pore-confined matter
• 7.4: Layering transitions
• 7.5: Liquid coexistence and ionic solutions in pores
• 7.6: The effect of pressure
• 7.7: Dynamics in pores
• 8: Phase transitions and dynamics of clusters
• 8.1: Melting point and melting enthalpy
• 8.2: Dynamics of metal clusters
• 9: Phase transitions of two-dimensional systems
• 9.1: Melting of thin layers
• 9.2: Structural phase transitions in thin layers
• 9.3: Glass transition of a polymer thin film
• 9.4: Surface alloy phases
• 10: Catalysis by metallic nanoparticles
• 10.1: Some general principles of catalysis by nanoparticles
• 10.2: Size-controlled catalytic clusters
• 10.3: Shape dependent catalytic activity
• 10.4: The effect of strain
• 10.5: The effect of alloying
• 10.6: Metal-support interaction
• 10.7: The influence of external bias voltage
• 11: Applications: facts and fictions
• 11.1: Nanomaterials
• 11.2: Nanotechnology
• 11.3: Hopes, hazards and hype--.
• (source: Nielsen Book Data)

Nanotechnology has been hailed as a key technology of the 21st century. The scope of this field is huge and could have a wide influence on many aspects of life. Nanoscience; the manipulation of matter at the atomic and molecular level, and nanomaterials; materials so small that their behaviour and characteristics deviate from those of macroscopic specimens and may be predicted by scaling laws or by quantum confinement effects, are discussed in Nanoscopic Materials: Size - Dependent Phenomena. The book focuses on a qualitative and quantitative approach discussing all areas of nanotechnology with particular emphasis on the underlying physico-chemical and physical principles of nanoscience. Topics include electronic structure, magnetic properties, thermodynamics of size dependence and catalysis. There is also a section discussing the future potential of the field and the ethical implications of nanotechnology. The book is ideal for graduate students of chemistry and materials science and researchers new to the field of nanoscience and nanotechnology.
(source: Nielsen Book Data)

• Microscopic Theory of Nonlinear Optics.- Accurate Nonlinear Optical Properties for Small Molecules.- Determination of Vibrational Contributions to Linear and Nonlinear Optical Properties.- SOS Methods in Calculations of Electronic NLO Properties.- Kohn-Sham Time-Dependent Density Functional Theory with Applications to Linear and Nonlinear Properties.- Non-Linear Pulse Propagation in Many-Photon Active Isotropic Media.- Collective and Cooperative Phenomena in Molecular Functional Materials.- Multiconfigurational Self-Consistent Field-Molecular Mechanics Response Methods.- Solvatochromism and Nonlinear Optical Properties of Donor-acceptor ?-Conjugated Molecules.- Symmetry Based Approach to the Evaluation of Second Order NLO Properties of Carbon Nanotubes.- Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers.- Nonlinear Optical Properties of Chiral Liquids.- Recent Progress in Molecular Design of Ionic Second-order Nonlinear Optical Materials.- Characterization Techniques of Nonlinear Optical Materials.- Third-Order Nonlinear Optical Response of Metal Nanoparticles.- From Dipolar to Octupolar Phthalocyanine Derivatives: The Example of Subphthalocyanines.- NLO Properties of Metal Alkynyl and Related Complexes.- Ruthenium Complexes as Versatile Chromophores with Large, Switchable Hyperpolarizabilities.- Linear and Nonlinear Optical Properties of Selected Rotaxanes and Catenanes.- Second Harmonic Generation from Gold and Silver Nanoparticles in Liquid Suspensions.
• (source: Nielsen Book Data)

This book assembles both theory and application in this field, to interest experimentalists and theoreticians alike. Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties while Part 2 reviews the latest developments in experimentation. This book will be invaluable to researchers and students in academia and industry, particularlrly to anyone involved in materials science, theoretical and computational chemistry, chemical physics, and molecular physics.
(source: Nielsen Book Data)

• Microscopic Theory of Nonlinear Optics.- Accurate Nonlinear Optical Properties for Small Molecules.- Determination of Vibrational Contributions to Linear and Nonlinear Optical Properties.- SOS Methods in Calculations of Electronic NLO Properties.- Kohn-Sham Time-Dependent Density Functional Theory with Applications to Linear and Nonlinear Properties.- Non-Linear Pulse Propagation in Many-Photon Active Isotropic Media.- Collective and Cooperative Phenomena in Molecular Functional Materials.- Multiconfigurational Self-Consistent Field-Molecular Mechanics Response Methods.- Solvatochromism and Nonlinear Optical Properties of Donor-acceptor ?-Conjugated Molecules.- Symmetry Based Approach to the Evaluation of Second Order NLO Properties of Carbon Nanotubes.- Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers.- Nonlinear Optical Properties of Chiral Liquids.- Recent Progress in Molecular Design of Ionic Second-order Nonlinear Optical Materials.- Characterization Techniques of Nonlinear Optical Materials.- Third-Order Nonlinear Optical Response of Metal Nanoparticles.- From Dipolar to Octupolar Phthalocyanine Derivatives: The Example of Subphthalocyanines.- NLO Properties of Metal Alkynyl and Related Complexes.- Ruthenium Complexes as Versatile Chromophores with Large, Switchable Hyperpolarizabilities.- Linear and Nonlinear Optical Properties of Selected Rotaxanes and Catenanes.- Second Harmonic Generation from Gold and Silver Nanoparticles in Liquid Suspensions.
• (source: Nielsen Book Data)

This book assembles both theory and application in this field, to interest experimentalists and theoreticians alike. Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties while Part 2 reviews the latest developments in experimentation. This book will be invaluable to researchers and students in academia and industry, particularlrly to anyone involved in materials science, theoretical and computational chemistry, chemical physics, and molecular physics.
(source: Nielsen Book Data)

• Atomic Confinement.- Correlation Studies of Two Active-Atomic-Electron Ionization Processes in Free Atoms.- Coherent Electron Impact Excitation of Atoms.- Electron and Photon Impact Studies of CF3I.- Time Delays and Cold Collisons.- Relativistic Basis Set Methods.- Inner Shell Electron Impact Ionization of Multi-Charged Ions.- A Study of Iterative Methods for Integro-Differential Equations of Electron-Atom Scattering.- Relaxation by Collisions with Hydrogen Atoms: Polarization of Spectral Lines.- Electron Energy Loss Spectroscopy of Trifluoromethyl Sulphur Pentafluoride.- The Use of the Magnetic Angle Changer in Electron Spectroscopy.- Mechanisms of Photo Double Ionization of Helium by 530 eV Photons.- Exchange Effects in the Outer Shell Ionisation of Xenon.- Ionization of Atoms by Antiproton Impact.- High resolution electron interaction studies with atoms, molecules, biomolecules and clusters.- Electron Driven Processes.- Quantum Time Entanglement of Electrons.- Analytic Continuation: Continuum Distorted Waves.- Electron Impact Ionization of Atoms with Two Active Target Electrons.- Electron Collisions with Aggregated Matter.- Rotational and Vibrational Excitation in Electron-Molecule Scattering.- Interactions Between Electrons and Highly Charged Iron Ions.- An Investigation of the Two Outermost Orbitals of Glyoxal and Biacetyl by Electron Momentum Spectroscopy.- Electron Scattering from Nuclei.- Electron Scattering and Hydronamic Effects in Ionized Gases.- Testing the Limits of the Single Particle Model in 16O(E, E'P).- (?, 2E) and (E, 2E) Using a 2-Electron $$\mathcal{R}$$ -Operator Formalism.- Laboratory Synthesis of Astrophysical Molecules.
• (source: Nielsen Book Data)

There is a unity to physics; it is a discipline which provides the most fundamental understanding of the dynamics of matter and energy. To understand anything about a physical system you have to interact with it and one of the best ways to learn something is to use electrons as probes. This book is the result of a meeting, which took place in Magdalene College Cambridge in December 2001. Atomic, nuclear, cluster, soHd state, chemical and even bio- physicists got together to consider scattering electrons to explore matter in all its forms. Theory and experiment were represented in about equal measure. It was meeting marked by the most lively of discussions and the free exchange of ideas. We all learnt a lot. The Editors are grateful to EPSRC through its Collaborative Computational Project program (CCP2), lOPP, the Division of Atomic, Molecular, Optical and Plasma Physics (DAMOPP) and the Atomic Molecular Interactions group (AMIG) of the Institute of Physics for financial support. The smooth running of the meeting was enormously facilitated by the efficiency and helpfulness of the staff of Magdalene College, for which we are extremely grateful. This meeting marked the end for one of us (CTW) of a ten-year period as a fellow of the College and he would like to take this opportunity to thank the fellows and staff for the privilege of working with them.
(source: Nielsen Book Data)

• From the contents Introduction
• Electronic Band Structures
• Vibrational Properties of Semiconductors and Electron-Photon Interactions
• Electronic Properties of Defects
• Electrical Transport
• Optical Properties I
• Optical Properties II
• Photoelectron Spectroscopy
• Effect of Quantum Confinement on Electrons and Phonons in Semiconductors. Appendix: Pioneers of Semiconductor Physics Remember.

Provides detailed explanations of the electronic, vibrational, transport, and optical properties of semiconductors. This textbook emphasizes understanding the physical properties of Si and similar tetrahedrally coordinated semiconductors and features an extensive collection of tables of material parameters, figures, and problems.

• 1. Introduction 1.1-Waves, Particles, and Units 1.2-The Electromagnetic Spectrum 1.3-Interaction of Radiation with Matter
• 2. Molecular Symmetry 2.1-Symmetry Operations 2.2-Groups 2.3-Notation for Point Groups
• 3. Matrix Representation of Groups 3.1-Vectors and Matrices 3.2-Symmetry Operations and Position Vectors 3.3-Symmetry Operators and Basis Vectors 3.4-Symmetry Operators and Basis Fuctions 3.5-Equivalent, Reducible, and Irreducible Matrix Representations 3.6-Great Orthogonality Theorem 3.7-Character Tablesity Theorem
• 4. Quantum Mechanics and Group Theory 4.1-Matrix Representation of the Schroedinger Equation 4.2-Born-Oppenheimer Approximationchroedinger Equation 4.3-Symmetry of the Hamiltonianionchroedinger Equation 4.4-Projection Operatorsltonianion 4.5-Direct Product Representations 4.6-Integrals and Selection Ruless
• 5. Atomic Spectroscopyction Ruless 5.1-Introductionoscopyction Rules 5.2-Angular Momentumpy 5.3-The Hydrogen Atom and One-Electron Spectra 5.4-Many-Electron Atomsnd One-Electron Spectra 5.5-Selection Rulestomsnd One-Electron Spectra 5.6-Atomic Spectrastoms 5.7-Intensity of Atomic Lines 5.8-Zeeman EffectAtomic Lines 5.9-Stark EffecttAtomic Lines
• 6. Rotational Spectroscopy 6.1-Rotation of Rigid Bodies 6.2-Pure Rotational Spectroscopy of Diatomic and Linear Molecules 6.3-Intensity of Pure Rotational Transitions of Diatomic and Linear Molecules 6.4-Symmetric Tops 6.5-Asymmetric Topsre Rotational Transitions of Diatomic and 6.6-Structure Determination
• 7. Vibrational Spectroscopy 7.1-Diatomic MoleculesRotational Transitions of Diatomic and 7.2-Vibrational Motion of Polyatomic Molecules 7.3-Vibrational Spectra of Symmetric Tops 7.4-Infrared Transitions of Spherical Tops 7.5-Vibrational Spectra of Asymmetric Topsules 7.6-Vibration-Rotation Line Intensitiesps 7.7-Fermi and Coriolis Perturbationsl Tops 7.8-Inversion Doubling and Fluxional Behaviors
• 8. The Raman Effection Line Intensitiesps 8.1-BackgroundCoriolis Perturbationsl Tops 8.2-Rotational Raman EffectFluxional Behavior 8.3-Vibration-Rotation Raman Spectroscopy 8.4-Rayleigh and Raman Intensitiesns 8.5-Conclusionsaman Effect
• 9. Electronic Spectroscopy of Diatomic Molecules 9.1-Orbitals and StatesIntensities 9.2-Vibrational Structure 9.3-Rotational Structure of Electronic Transitions of Diatomic Molecules 9.4-The Symmetry of Diatomic Energy Levels: Parity 9.5-Rotational Line Intensities 9.6-Dissociation, Photodissociation, and Predissociation
• 10. Electronic Spectroscopy of Polyatomic Molecules 10.1-Orbitals and Statesomic Energy Levels: Parity 10.2-Vibrational Structure of Electronic Transitions 10.3-Vibronic Coupling: The Herzberg-Teller Effect 10.4-Jahn-Teller Effect 10.5-Renner-Teller Effect 10.6-Nonradiative Transitions: Jablonski Diagram 10.7-Photoelectron Spectroscopy 10.8-Rotational Structure: H2CO and HCN 10.9-Intensity of Transitions
• 11. Appendix A: Units, Conversions, and Physical Constants
• 12. Appendix B: Character Tables
• 13. Appendix C: Direct Product Tables
• 14. Appendix D: Introductory Textbooks Covering All of Spectroscopy 9.6-Dissociation, Photodissociation, and Predissociation.
• (source: Nielsen Book Data)

Spectra of Atoms and Molecules, 2nd Edition is designed to introduce advanced undergraduates and new graduate students to the vast field of spectroscopy. Of interest to chemists, physicists, astronomers, atmospheric scientists, and engineers, it emphasizes the fundamental principles of spectroscopy with its primary goal being to teach students how to interpret spectra. The book includes a clear presentation of group theory needed for understanding the material and a large number of excellent problems are found at the end of each chapter. In keeping with the visual aspects of the course, the author provides a large number of diagrams and spectra specifically recorded for this book. Topics such as molecular symmetry, matrix representation of groups, quantum mechanics, and group theory are discussed. Analyses are made of atomic, rotational, vibrational, and electronic spectra. Spectra of Atoms and Molecules, 2nd Edition has been updated to include the 1998 revision of physical constants, and conforms more closely to the recommended practice for the use of symbols and units. This new edition has also added material pertaining to line intensities, which can be confusing due to the dozens of different units used to report line and band strengths. Another major change is in author Peter Bernath's discussion of the Raman effect and light scattering, where the standard theoretical treatment is now included. Aimed at new students of spectroscopy regardless of their background, Spectra of Atoms and Molecules will help demystify spectroscopy by showing the necessary steps in a derivation.
(source: Nielsen Book Data)

• Preparation and Maintenance of Instrument
• Samples: Selection, Preparation
• Optimisation of Source and Analytical Parameters
• Calibration
• Calibration for Bulk Analysis
• Calibration for Compositional Depth Profiling
• Drift Correction
• Bulk Analysis
• Qualitative Depth Profiling
• Compositional Depth Profiling
• Theory
• Line Selection
• Trouble Shooting
• Subject Index.
• (source: Nielsen Book Data)

Glow discharge optical emission spectroscopy (GDOES) is an essential technique for the direct analysis of bulk solids, for elemental surface analysis and for the depth profiling of thin films and industrial coatings. The technique has shown rapid growth in numbers of instruments, in breadth of applications, in improved quantification in recent years and is now a recognised technique within the ISO, with two international standards. Glow Discharge Optical Emission Spectroscopy: A Practical Guide takes the reader on a journey through instrument operation, sample preparation, analysis, and reporting results. It follows two sets of samples through the whole process of analysis, brass samples for bulk analysis, and zinc-coated steel for depth profiling. Procedures are consistent with recent ISO standards and each step is loaded with hands-on tips and theoretical insight. The book also includes unique data tables on spectral interferences, molecular bands, self-absorption and relative sputtering rates. This book is designed for those using or managing GDOES instruments and for students interested in learning the technique from a hands-on perspective. It is also an invaluable aid to those considering the purchase of a GDOES instrument, or those using GDOES results, to understand in detail how the technique works and what is involved in maintaining the instrument and achieving high quality results.
(source: Nielsen Book Data)

• Preparation and Maintenance of Instrument
• Samples: Selection, Preparation
• Optimisation of Source and Analytical Parameters
• Calibration
• Calibration for Bulk Analysis
• Calibration for Compositional Depth Profiling
• Drift Correction
• Bulk Analysis
• Qualitative Depth Profiling
• Compositional Depth Profiling
• Theory
• Line Selection
• Trouble Shooting
• Subject Index.
• (source: Nielsen Book Data)

Glow discharge optical emission spectroscopy (GDOES) is an essential technique for the direct analysis of bulk solids, for elemental surface analysis and for the depth profiling of thin films and industrial coatings. The technique has shown rapid growth in numbers of instruments, in breadth of applications, in improved quantification in recent years and is now a recognised technique within the ISO, with two international standards. Glow Discharge Optical Emission Spectroscopy: A Practical Guide takes the reader on a journey through instrument operation, sample preparation, analysis, and reporting results. It follows two sets of samples through the whole process of analysis, brass samples for bulk analysis, and zinc-coated steel for depth profiling. Procedures are consistent with recent ISO standards and each step is loaded with hands-on tips and theoretical insight. The book also includes unique data tables on spectral interferences, molecular bands, self-absorption and relative sputtering rates. This book is designed for those using or managing GDOES instruments and for students interested in learning the technique from a hands-on perspective. It is also an invaluable aid to those considering the purchase of a GDOES instrument, or those using GDOES results, to understand in detail how the technique works and what is involved in maintaining the instrument and achieving high quality results.
(source: Nielsen Book Data)

• Free Radicals in Biomolecular Injury and Disease
• Recent Developments in EPR Spin-trapping
• Time-resolved EPR Studies of Transient Organic Radicals
• Spin Labeling in High-field EPR
• Techniques and Applications of EPR Imaging
• EPR of Exchange Coupled Oligomers
• EPR of Paramagnetic Centres on Solid Surfaces
• EPR of Radical-Intermediates in Flavoenzymes
• Progress in High-field EPR
• Iron Coordination in Metalloproteins: Structural and Electronic Aspects
• Author Index.
• (source: Nielsen Book Data)

Electron Paramagnetic Resonance (EPR) Volume 18 highlights major developments in this area reported in 2001 and 2002, with results being set into the context of earlier work and presented as a set of critical yet coherent overviews. The topics covered describe contrasting types of application ranging from biological areas such as EPR studies of free-radical reactions in biology and medically-related systems to experimental developments and applications involving EPR imaging the use of very high fields and time-resolved methods. Critical and up-to-the-minute reviews of advances involving the design of spin-traps advances in spin-labelling paramagnetic centres on solid surfaces exchange-coupled oligomers metalloproteins and radicals in flavoenzymes are also included. As EPR continues to find new applications in virtually all areas of modern science including physics chemistry biology and materials science this series caters not only for experts in the field but also those wishing to gain a general overview of EPR applications in a given area.
(source: Nielsen Book Data)

• Free Radicals in Biomolecular Injury and Disease
• Recent Developments in EPR Spin-trapping
• Time-resolved EPR Studies of Transient Organic Radicals
• Spin Labeling in High-field EPR
• Techniques and Applications of EPR Imaging
• EPR of Exchange Coupled Oligomers
• EPR of Paramagnetic Centres on Solid Surfaces
• EPR of Radical-Intermediates in Flavoenzymes
• Progress in High-field EPR
• Iron Coordination in Metalloproteins: Structural and Electronic Aspects
• Author Index.
• (source: Nielsen Book Data)

Electron Paramagnetic Resonance (EPR) Volume 18 highlights major developments in this area reported in 2001 and 2002, with results being set into the context of earlier work and presented as a set of critical yet coherent overviews. The topics covered describe contrasting types of application ranging from biological areas such as EPR studies of free-radical reactions in biology and medically-related systems to experimental developments and applications involving EPR imaging the use of very high fields and time-resolved methods. Critical and up-to-the-minute reviews of advances involving the design of spin-traps advances in spin-labelling paramagnetic centres on solid surfaces exchange-coupled oligomers metalloproteins and radicals in flavoenzymes are also included. As EPR continues to find new applications in virtually all areas of modern science including physics chemistry biology and materials science this series caters not only for experts in the field but also those wishing to gain a general overview of EPR applications in a given area.
(source: Nielsen Book Data)

• The manuscripts of Michael Faraday from the Royal Institution (17 reels)
• The manuscripts of Michael Faraday from the Institute of Electrical Engineers (2 reels)
• The manuscripts of Michael Faraday from the Guildhall Library (4 reels)