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Vibrational Sum Frequency Spectroscopic Studies And Molecular Dynamics Simulations Of Water Surfaces
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Book Synopsis Vibrational Sum Frequency Spectroscopic Studies and Molecular Dynamics Simulations of Water Surfaces by : Dave S. Walker
Download or read book Vibrational Sum Frequency Spectroscopic Studies and Molecular Dynamics Simulations of Water Surfaces written by Dave S. Walker and published by . This book was released on 2007 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structures and Dynamics of Interfacial Water by : Fujie Tang
Download or read book Structures and Dynamics of Interfacial Water written by Fujie Tang and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water-TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Book Synopsis Theory of Sum Frequency Generation Spectroscopy by : Akihiro Morita
Download or read book Theory of Sum Frequency Generation Spectroscopy written by Akihiro Morita and published by Springer. This book was released on 2018-08-02 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Fundamentals of Sum-Frequency Spectroscopy by : Y. R. Shen
Download or read book Fundamentals of Sum-Frequency Spectroscopy written by Y. R. Shen and published by Cambridge University Press. This book was released on 2016-02-18 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book on the topic, and written by the founder of the technique, this comprehensive resource provides a detailed overview of sum-frequency spectroscopy, its fundamental principles, and the wide range of applications for surfaces, interfaces, and bulk. Beginning with an overview of the historical context, and introductions to the basic theory of nonlinear optics and surface sum-frequency generation, topics covered include discussion of different experimental arrangements adopted by researchers, notes on proper data analysis, an up-to-date survey commenting on the wide range of successful applications of the tool, and a valuable insight into current unsolved problems and potential areas to be explored in the future. With the addition of chapter appendices that offer the opportunity for more in-depth theoretical discussion, this is an essential resource that integrates all aspects of the subject and is ideal for anyone using, or interested in using, sum-frequency spectroscopy.
Book Synopsis Environmental Interfacial Spectroscopy by : Mahamud Subir
Download or read book Environmental Interfacial Spectroscopy written by Mahamud Subir and published by American Chemical Society. This book was released on 2022-04-14 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clarifying chemical processes in the environment is tantamount to creating a better and a safer planet. The chemistry that takes place within the natural world occurs not only in the bulk gaseous, liquid, and solid phases, but also in the region where two phases meet. This molecularly thin region between phases, also known as an interface, plays a significant role in various chemical processes because interfaces are ubiquitous in nature. Despite the significance of interfacial processes in environmental chemistry, investigating environmental interfaces experimentally has always been a challenge. Recent advances in nonlinear spectroscopy (NLS) have demonstrated that techniques such as sum frequency generation (SFG) and second harmonic generation (SHG) are unique in their ability to probe buried chemical interfaces. The theoretical and practical aspect of these techniques in probing environmental interfaces is the primary focus of this e-book. This e-book is geared toward curious and inquisitive minds eager to learn how molecules behave at the thin layers of chemical interfaces. A beautiful world, rich in unique insights into the interfacial environmental processes, awaits.
Book Synopsis Biological Water by : Gertz I. Likhtenshtein
Download or read book Biological Water written by Gertz I. Likhtenshtein and published by Springer Nature. This book was released on 2021-10-21 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.
Book Synopsis Reviews in Computational Chemistry, Volume 28 by : Abby L. Parrill
Download or read book Reviews in Computational Chemistry, Volume 28 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2015-04-29 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Book Synopsis Structures and Dynamics of Interfacial Water by : Fujie Tang
Download or read book Structures and Dynamics of Interfacial Water written by Fujie Tang and published by Springer. This book was released on 2019-06-20 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water–TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Book Synopsis Vibrational Spectroscopy of Water Interfaces by : Quan Du
Download or read book Vibrational Spectroscopy of Water Interfaces written by Quan Du and published by . This book was released on 1994 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Vibrational Spectroscopy of Water in the Bulk and at the Liquid/vapor Interface by : Benjamin M. Auer
Download or read book Vibrational Spectroscopy of Water in the Bulk and at the Liquid/vapor Interface written by Benjamin M. Auer and published by . This book was released on 2008 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Surface and Interface Science, Volumes 7 and 8 by : Klaus Wandelt
Download or read book Surface and Interface Science, Volumes 7 and 8 written by Klaus Wandelt and published by John Wiley & Sons. This book was released on 2020-03-30 with total page 1002 pages. Available in PDF, EPUB and Kindle. Book excerpt: In ten volumes, this unique handbook covers all fundamental aspects of surface and interface science and offers a comprehensive overview of this research area for scientists working in the field, as well as an introduction for newcomers. Volume 1: Concepts and Methods Volume 2: Properties of Elemental Surfaces Volume 3: Properties of Composite Surfaces: Alloys, Compounds, Semiconductors Volume 4: Solid-Solid Interfaces and Thin Films Volume 5: Solid-Gas Interfaces I Volume 6: Solid-Gas Interfaces II Volume 7: Liquid and Biological Interfaces Volume 8: Interfacial Electrochemistry Volume 9: Applications of Surface Science I Volume 10: Applications of Surface Science II Content of Volumes 7 & 8: * Probing Liquid/Solid Interfaces at the Molecular Level * Structure and Dynamics of Liquid-Solid Interfaces * Adsorption of Biomolecules * Liquid Surfaces * Surfaces of Ionic Liquids * Superhydrophobicity * Cell Penetrating Peptides Targeting and Distorting Biological Membranes * Theory of Solid/Electrolyte Interfaces * Metal/Electrolyte Interfaces: An Atomic View * X-Ray Spectroscopy at Electro-Catalytic Interfaces * Fundamental Aspects of Electro-Catalysis * Non-Linear Processes at Solid/Liquid Interfaces
Book Synopsis Ultrafast Vibrational Spectroscopy and Dynamics of Water at Interfaces by : Ali Eftekharibafrooei
Download or read book Ultrafast Vibrational Spectroscopy and Dynamics of Water at Interfaces written by Ali Eftekharibafrooei and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry
Download or read book Solvation Dynamics written by Chang Q Sun and published by Springer. This book was released on 2019-07-03 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the latest advances and outlines future trends in aqueous solvation studies from the perspective of hydrogen bond transition by charge injection, which reconciles the solvation dynamics, molecular nonbond interactions, and the extraordinary functionalities of various solutes on the solution bond network and properties. Focus is given on ionic and dipolar electrostatic polarization, O:H nonbond interaction, anti-HB and super-HB repulsion, and solute-solute interactions. Its target audience includes researchers, scientists, and engineers in chemistry, physics, surface and interface science, materials science and engineering.
Book Synopsis Chemistry In The Cryosphere (In 2 Parts) by : Paul Shepson
Download or read book Chemistry In The Cryosphere (In 2 Parts) written by Paul Shepson and published by World Scientific. This book was released on 2021-10-12 with total page 922 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ice and snow on Earth modulate and modify the climate, chemistry and fate of air and water pollutants. Climate change is drastically impacting Nature and extent of the cryosphere, with attendant feedbacks on atmospheric composition and climate. These changes are happening at a rate that outpaces the development of fundamental knowledge of processes that occur within/on the surfaces of ice and snow, confounding our ability to develop a predictive capability for future states of the Earth environment.This set, comprising 17 chapters, written by world experts on these topics, are thus intended to document the current state of understanding of the structure, physical properties, abundance, and chemical and microbiological processes that occur within/on ice and snow in all Earth environments in which it exists, and to express needs for improvement of that understanding. This, only comprehensive treatise/collection that covers environmentally relevant chemistry and related physical aspects of snow and ice in the Earth system, and the connections to climate change, will be accessible to those with introductory college-level understanding of chemistry and physics.
Book Synopsis Water in Biological and Chemical Processes by : Biman Bagchi
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Book Synopsis Issues in Technology Theory, Research, and Application: 2011 Edition by :
Download or read book Issues in Technology Theory, Research, and Application: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 1862 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Technology Theory, Research, and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Technology Theory, Research, and Application. The editors have built Issues in Technology Theory, Research, and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Technology Theory, Research, and Application in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Technology Theory, Research, and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
