Nonlinear Spectroscopy For Molecular Structure Determination

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Nonlinear Spectroscopy for Molecular Structure Determination

Author : Robert W. Field
Publisher : Wiley-Blackwell
ISBN 13 : 9780632042173
Total Pages : 276 pages
Book Rating : 4.0/5 (421 download)

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Book Synopsis Nonlinear Spectroscopy for Molecular Structure Determination by : Robert W. Field

Download or read book Nonlinear Spectroscopy for Molecular Structure Determination written by Robert W. Field and published by Wiley-Blackwell. This book was released on 1998 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: A large variety of nonlinear spectroscopic methods have so far been developed and applied to studies of molecular structure and dynamics. Some of these methods utilize complex techniques, making it difficult to understand the underlying principles. Furthermore, most of these methods are referred to by nicknames or acronyms, which keeps them shrouded in mystery for most non–specialists who are thereby discouraged from mastering and applying the methods to molecular systems. Under these circumstances it was judged appropriate and timely to overview those nonlinear spectroscopic methods which are currently particularly useful for studies of molecular structure and dynamics. Thus, the Commission on Molecular Structure and Spectroscopy of the International Union of Pure and Applied Chemistry decided to publish a book, intended to provide an introduction to nonlinear spectroscopy for non–specialists.

Nonlinear Spectroscopy

Author : Società italiana di fisica
Publisher : Elsevier Science & Technology
ISBN 13 :
Total Pages : 482 pages
Book Rating : 4.X/5 (1 download)

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Book Synopsis Nonlinear Spectroscopy by : Società italiana di fisica

Download or read book Nonlinear Spectroscopy written by Società italiana di fisica and published by Elsevier Science & Technology. This book was released on 1977 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Frontiers of Molecular Spectroscopy

Author : Jaan Laane
Publisher : Elsevier
ISBN 13 : 9780080932378
Total Pages : 740 pages
Book Rating : 4.9/5 (323 download)

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Book Synopsis Frontiers of Molecular Spectroscopy by : Jaan Laane

Download or read book Frontiers of Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2011-08-11 with total page 740 pages. Available in PDF, EPUB and Kindle. Book excerpt: Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. * provides comprehensive coverage of present spectroscopic investigations * features 20 chapters written by leading researchers in the field * covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology

Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters

Author : Takayuki Ebata
Publisher : Springer
ISBN 13 : 9811393710
Total Pages : 395 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters by : Takayuki Ebata

Download or read book Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters written by Takayuki Ebata and published by Springer. This book was released on 2019-08-02 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.

Investigation of Molecular Structure

Author : Bruce Charles Gilbert
Publisher :
ISBN 13 :
Total Pages : 164 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Investigation of Molecular Structure by : Bruce Charles Gilbert

Download or read book Investigation of Molecular Structure written by Bruce Charles Gilbert and published by . This book was released on 1975 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The application of spectroscopic and diffraction techniques to the study of molecules an ions has revolutionized the processes of analysis and structure determination, thus profoundly affecting the development of chemistry and molecular biology. These modern approaches increasingly find their place in 'A' level and National Certificate syllabuses, as well as at an early stage in degree level courses. Emphasis is placed here on the results which can be obtained by the application of these techniques- that is, how the identity of a compound may be obtained and how its detailed molecular structure can be determined. Mass spectrometry, infra-red and ultra-violet spectroscopy, nuclear magnetic resonance spectroscopy and the diffraction methods are all described and their uses are illustrated. Essential physical principles (such as the quantum theory, the wave nature of radiation) are introduced, but mathematical content has been kept to a minimum."- Publisher.

Vibrational Spectroscopy

Author : Dominique De Caro
Publisher : BoD – Books on Demand
ISBN 13 : 9535101072
Total Pages : 182 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Vibrational Spectroscopy by : Dominique De Caro

Download or read book Vibrational Spectroscopy written by Dominique De Caro and published by BoD – Books on Demand. This book was released on 2012-02-24 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: The infrared and Raman spectroscopy have applications in numerous fields, namely chemistry, physics, astronomy, biology, medicine, geology, mineralogy etc. This book provides some examples of the use of vibrational spectroscopy in supramolecular chemistry, inorganic chemistry, solid state physics, but also in the fields of molecule-based materials or organic-inorganic interfaces.

Encyclopedia of Spectroscopy and Spectrometry

Author :
Publisher : Academic Press
ISBN 13 : 0128032251
Total Pages : 3716 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Encyclopedia of Spectroscopy and Spectrometry by :

Download or read book Encyclopedia of Spectroscopy and Spectrometry written by and published by Academic Press. This book was released on 2016-09-22 with total page 3716 pages. Available in PDF, EPUB and Kindle. Book excerpt: This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas

Non-covalent Interactions

Author : Pavel Hobza
Publisher : Royal Society of Chemistry
ISBN 13 : 1847558534
Total Pages : 239 pages
Book Rating : 4.8/5 (475 download)

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Book Synopsis Non-covalent Interactions by : Pavel Hobza

Download or read book Non-covalent Interactions written by Pavel Hobza and published by Royal Society of Chemistry. This book was released on 2010 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.

Structures and Conformations of Non-rigid Molecules

Author : Jaan Laane
Publisher : Springer Science & Business Media
ISBN 13 :
Total Pages : 664 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Structures and Conformations of Non-rigid Molecules by : Jaan Laane

Download or read book Structures and Conformations of Non-rigid Molecules written by Jaan Laane and published by Springer Science & Business Media. This book was released on 1993 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Introductory Group Theory

Author : John R. Ferraro
Publisher : Springer
ISBN 13 : 1489964711
Total Pages : 239 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Introductory Group Theory by : John R. Ferraro

Download or read book Introductory Group Theory written by John R. Ferraro and published by Springer. This book was released on 2013-11-09 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a consequence of a series of seminars presented by the authors at the Infrared Spectroscopy Institute, Canisius College, Buffalo, New York, over the last nine years. Many participants on an intermediate level lacked a sufficient background in mathematics and quantum mechan ics, and it became evident that a non mathematical or nearly nonmathe matical approach would be necessary. The lectures were designed to fill this need and proved very successful. As a result of the interest that was developed in this approach, it was decided to write this book. The text is intended for scientists and students with only limited theore tical background in spectroscopy, but who are sincerely interested in the interpretation of molecular spectra. The book develops the detailed selection rules for fundamentals, combinations, and overtones for molecules in several point groups. Detailed procedures used in carrying out the normal coordinate treatment for several molecules are also presented. Numerous examples from the literature illustrate the use of group theory in the in terpretation of molecular spectra and in the determination of molecular structure.

Comprehensive Chiroptical Spectroscopy, Volume 1

Author : Nina Berova
Publisher : John Wiley & Sons
ISBN 13 : 1118120175
Total Pages : 797 pages
Book Rating : 4.1/5 (181 download)

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Book Synopsis Comprehensive Chiroptical Spectroscopy, Volume 1 by : Nina Berova

Download or read book Comprehensive Chiroptical Spectroscopy, Volume 1 written by Nina Berova and published by John Wiley & Sons. This book was released on 2011-12-14 with total page 797 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The book can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry, with or without the companion volume in this set. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties. Each chapter is written by one or more leading authorities with extensive experience in the field.

The Spectra and Dynamics of Diatomic Molecules

Author : Helene Lefebvre-Brion
Publisher : Elsevier
ISBN 13 : 0080517501
Total Pages : 797 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis The Spectra and Dynamics of Diatomic Molecules by : Helene Lefebvre-Brion

Download or read book The Spectra and Dynamics of Diatomic Molecules written by Helene Lefebvre-Brion and published by Elsevier. This book was released on 2004-04-28 with total page 797 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's cases), construction of effective Hamiltonian matrices to represent both spectra and dynamics, terms neglected in the Born-Oppenheimer approximation (situations intermediate between Hund's cases, spectroscopic perturbations), nonlinear least squares fitting, calculation and interpretation of coupling terms, semi-classical (WKB) approximation, transition intensities and interference effects, direct photofragmentation (dissociation and ionization) and indirect photofragmentation (predissociation and autoionization) processes, visualization of intramolecular dynamics, quantum beats and wavepackets, treatment of decaying quasi-eigenstates using a complex Heff model, and concluding with some examples of polyatomic molecule dynamics. Students will discover that there is a fascinating world of cause-and-effect localized dynamics concealed beyond the reduction of spectra to archival molecular constants and the exact ab initio computation of molecular properties. Professional spectroscopists, kinetics, ab initio theorists will appreciate the practical, simplified-model, and rigorous theoretical approaches discussed in this book. A fundamental reference for all spectra of small, gas-phase molecules It is the most up-to-date and comprehensive book on the electronic spectroscopy and dynamics of diatomic molecules The authors pioneered the development of many of the experimental methods, concepts, models, and computational schemes described in this book

Structure Determination By Spectroscopic Methods

Author : Raul SanMartin
Publisher : CRC Press
ISBN 13 : 1351032496
Total Pages : 220 pages
Book Rating : 4.3/5 (51 download)

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Book Synopsis Structure Determination By Spectroscopic Methods by : Raul SanMartin

Download or read book Structure Determination By Spectroscopic Methods written by Raul SanMartin and published by CRC Press. This book was released on 2020-11-26 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: The authors travel with the reader through the challenging maze of structure determination, showing how to distinguish between valuable and deceiving data from IR, NMR and MS spectra, extracting structural conclusions and putting all the pieces together to solve the structure elucidation puzzle. Indeed, human reasoning is key to combining the information contained in those bands, signals and peaks by a rationale that enables the makeup of a chemical structure. A number of increasingly more complex problems will act as trip segments and, in addition to the spectra themselves, each chapter is supplemented with figures and tables that decipher the above data and serve as maps for the journey.

Equilibrium Molecular Structures

Author : Jean Demaison
Publisher : CRC Press
ISBN 13 : 1439811350
Total Pages : 302 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Equilibrium Molecular Structures by : Jean Demaison

Download or read book Equilibrium Molecular Structures written by Jean Demaison and published by CRC Press. This book was released on 2016-04-19 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these

Overviews of Recent Research on Energetic Materials

Author : Robert W Shaw
Publisher : World Scientific
ISBN 13 : 9814480908
Total Pages : 532 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Overviews of Recent Research on Energetic Materials by : Robert W Shaw

Download or read book Overviews of Recent Research on Energetic Materials written by Robert W Shaw and published by World Scientific. This book was released on 2005-08-02 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: ' Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by internationally known and major contributors to the field, is unique because it summarizes the most important recent work, what we know with confidence, and what main areas remain to be investigated. Most chapters comprise summaries of work spanning decades and contain expert commentary available nowhere else. Although energetic materials are its focus, this book provides a guide to modern methods for investigations of condensed and gas-phase reactions. Although these energetic reactions are complex and difficult to study, the work discussed here provides readers with a substantial understanding of the behavior of materials now in use, and a predictive capability for the development of new materials based on target properties. Contents:Connecting Molecular Properties to Decomposition, Combustion and Explosion Trends (T B Brill)Thermal Decomposition Processes of Energetic Materials in the Condensed Phase at Low and Moderate Temperatures (R Behrens)Study of Energetic Material Combustion Chemistry by Probing Mass Spectrometry and Modeling of Flames (O P Korobeinichev)Optical Spectroscopic Measurements of Energetic Material Flame Structure (T Parr & D Hanson-Parr)Transient Gas-Phase Intermediates in the Decomposition of Energetic Materials (P J Dagdigian)Role of Excited Electronic States in the Decomposition of Energetic Materials (E R Bernstein)Gas-Phase Kinetics for Propellant Combustion Modeling: Requirements and Experiments (W R Anderson & A Fontijn)Gas-Phase Decomposition of Energetic Molecules (D L Thompson)Modeling the Reactions of Energetic Materials in the Condensed Phase (L E Fried et al.)Multi-Phonon Up-Pumping in Energetic Materials (D D Dlott)Applications of Theoretical Chemistry in Assessing Energetic Materials for Performance or Sensitivity (B M Rice)Combustion and Ignition of Nitramine Propellants: Aspects of Modeling, Simulation, and Analysis (E S Kim & V Yang)Burning-Rate Models and Their Successors, A Personal Perspective (M S Miller)Ideas to Expand Thinking About New Energetic Materials (J Bottaro) Readership: Researchers studying fast chemical reactions and materials behavior under extreme conditions. Experts and beginners in energetic decomposition, combustion and detonation research. Keywords:Energetic Materials;Combustion;Thermal Decomposition;Combustion Model;Materials Design;Flames;Explosive;Propellant;Computational Chemistry;DetonationKey Features:Summarizes the known knowns (the most important recent work) and lists the known unknowns (what remains to be investigated)Provides expert commentary on the complex behavior of materialsReviews:“This book nicely covers the application of many experimental and theoretical tools to study the difficult problem of ignition and combustion of many traditional energetic materials. It could be a valuable resource to the researchers in the field.”Journal of the American Chemical Society '

Trends and Perspectives in Modern Computational Science

Author : George Maroulis
Publisher : CRC Press
ISBN 13 : 904741862X
Total Pages : 606 pages
Book Rating : 4.0/5 (474 download)

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Book Synopsis Trends and Perspectives in Modern Computational Science by : George Maroulis

Download or read book Trends and Perspectives in Modern Computational Science written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains a collection of the lectures of the invited speakers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. This book presents developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering.

Multidimensional Time-Resolved Spectroscopy

Author : Tiago Buckup
Publisher : Springer
ISBN 13 : 3030024784
Total Pages : 320 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Multidimensional Time-Resolved Spectroscopy by : Tiago Buckup

Download or read book Multidimensional Time-Resolved Spectroscopy written by Tiago Buckup and published by Springer. This book was released on 2018-12-07 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.