Vibrational Sum Frequency Spectroscopic Studies And Molecular Dynamics Simulations Of Water Surfaces

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Theory of Sum Frequency Generation Spectroscopy

Author : Akihiro Morita
Publisher : Springer
ISBN 13 : 9811316074
Total Pages : 275 pages
Book Rating : 4.8/5 (113 download)

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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.

Fundamentals of Sum-Frequency Spectroscopy

Author : Y. R. Shen
Publisher : Cambridge University Press
ISBN 13 : 131647304X
Total Pages : 570 pages
Book Rating : 4.3/5 (164 download)

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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.

Environmental Interfacial Spectroscopy

Author : Mahamud Subir
Publisher : American Chemical Society
ISBN 13 : 0841299277
Total Pages : 339 pages
Book Rating : 4.8/5 (412 download)

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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.

Structures and Dynamics of Interfacial Water

Author : Fujie Tang
Publisher : Springer
ISBN 13 : 9811389659
Total Pages : 107 pages
Book Rating : 4.8/5 (113 download)

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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 107 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.

Reviews in Computational Chemistry, Volume 28

Author : Abby L. Parrill
Publisher : John Wiley & Sons
ISBN 13 : 1118889932
Total Pages : 570 pages
Book Rating : 4.1/5 (188 download)

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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

Chemistry In The Cryosphere (In 2 Parts)

Author : Paul Shepson
Publisher : World Scientific
ISBN 13 : 9811230145
Total Pages : 922 pages
Book Rating : 4.8/5 (112 download)

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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.

Surface and Interface Science, Volumes 7 and 8

Author : Klaus Wandelt
Publisher : John Wiley & Sons
ISBN 13 : 3527411593
Total Pages : 1002 pages
Book Rating : 4.5/5 (274 download)

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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: Dieses einzigartige Handbuch in zehn Bänden behandelt alle grundlegenden Aspekte der Oberflächen- und Grenzflächenwissenschaften, bietet für Wissenschaftler der Fachrichtung einen umfassenden Überblick über das Forschungsgebiet und eignet sich als Einführung für alle, die neu in dem Fachgebiet sind.

Physical Chemistry of Gas-Liquid Interfaces

Author : Jennifer A. Faust
Publisher : Elsevier
ISBN 13 : 0128136421
Total Pages : 492 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Physical Chemistry of Gas-Liquid Interfaces by : Jennifer A. Faust

Download or read book Physical Chemistry of Gas-Liquid Interfaces written by Jennifer A. Faust and published by Elsevier. This book was released on 2018-05-31 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. - 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers - Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists - Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom - Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research

Biological Water

Author : Gertz I. Likhtenshtein
Publisher : Springer Nature
ISBN 13 : 3030825035
Total Pages : 523 pages
Book Rating : 4.0/5 (38 download)

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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.

Encyclopedia of Interfacial Chemistry

Author :
Publisher : Elsevier
ISBN 13 : 0128098945
Total Pages : 5276 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Encyclopedia of Interfacial Chemistry by :

Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions

Issues in Technology Theory, Research, and Application: 2011 Edition

Author :
Publisher : ScholarlyEditions
ISBN 13 : 1464964033
Total Pages : 1862 pages
Book Rating : 4.4/5 (649 download)

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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/.

Scientific and Technical Aerospace Reports

Author :
Publisher :
ISBN 13 :
Total Pages : 704 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Scientific and Technical Aerospace Reports by :

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:

High Performance Computing in Science and Engineering ‘14

Author : Wolfgang E. Nagel
Publisher : Springer
ISBN 13 : 3319108107
Total Pages : 682 pages
Book Rating : 4.3/5 (191 download)

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Book Synopsis High Performance Computing in Science and Engineering ‘14 by : Wolfgang E. Nagel

Download or read book High Performance Computing in Science and Engineering ‘14 written by Wolfgang E. Nagel and published by Springer. This book was released on 2015-02-14 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS). The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.

Vibrational Spectroscopy of Water in the Bulk and at the Liquid/vapor Interface

Author : Benjamin M. Auer
Publisher :
ISBN 13 :
Total Pages : 166 pages
Book Rating : 4.:/5 (891 download)

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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:

Surface and Colloid Science

Author : Fernando Galembeck
Publisher : Springer Science & Business Media
ISBN 13 : 9783540212478
Total Pages : 334 pages
Book Rating : 4.2/5 (124 download)

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Book Synopsis Surface and Colloid Science by : Fernando Galembeck

Download or read book Surface and Colloid Science written by Fernando Galembeck and published by Springer Science & Business Media. This book was released on 2004-12-08 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume includes 58 contributions to the 11th International Conference on Surface and Colloid Science, a highly successful conference sponsored by the International Association of Colloid and Interface Scientists and held in Iguassu Falls, Brazil, in September 2003. Topics covered are the following: Biocolloids and Biological Applications, Charged Particles and Interfaces, Colloid Stability, Colloidal Dispersions, Environmental Colloidal Science, Interfaces and Adsorption, Nanostructures and Nanotechnology, Self-Assembly and Structured Fluids, Surfactants and Polymers, Technology and Applications, Colloids and Surfaces in Oil Production. Surface and colloid science has acquired great momentum during the past twenty years and this volume is a good display of new results and new directions in this important area.

Water in Biological and Chemical Processes

Author : Biman Bagchi
Publisher : Cambridge University Press
ISBN 13 : 1107037298
Total Pages : 383 pages
Book Rating : 4.1/5 (7 download)

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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.

Ultrafast Dynamics of Phospholipid-Water Interfaces

Author : René Costard
Publisher : Springer
ISBN 13 : 3319220667
Total Pages : 112 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Ultrafast Dynamics of Phospholipid-Water Interfaces by : René Costard

Download or read book Ultrafast Dynamics of Phospholipid-Water Interfaces written by René Costard and published by Springer. This book was released on 2015-08-08 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents a highly innovative study of the ultrafast structural and vibrational dynamics of hydrated phospholipids, the basic constituents of cell membranes. As a novel approach to the water-phospholipid interface, the author studies phosphate vibrations using the most advanced methods of nonlinear vibrational spectroscopy, including femtosecond two-dimensional infrared spectroscopy. He shows for the first time that the structure of interfacial water undergoes very limited fluctuations on a 300 fs time scale and that the lifetimes of hydrogen bonds with the phospholipid are typically longer than 10 ps. Such properties originate from the steric hindrance of water fluctuations at the interface and the orienting action of strong electric fields from the phospholipid head group dipoles. In an extensive series of additional experiments, the vibrational lifetimes of the different vibrations and the processes of energy dissipation are elucidated in detail.