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A Theoretical Description Of The Vibrational Spectroscopy Of Liquids
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Book Synopsis Theoretical Modeling of Vibrational Spectra in the Liquid Phase by : Martin Thomas
Download or read book Theoretical Modeling of Vibrational Spectra in the Liquid Phase written by Martin Thomas and published by Springer. This book was released on 2016-12-24 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically introduces theoretical basics and discusses the implications of approximating the atomic nuclei as classical particles. The strengths of the methodology are demonstrated through several different examples. Of particular interest are ionic liquids, since their properties are governed by strong and diverse intermolecular interactions in the liquid state. As a novel contribution to the field, the author presents an alternative route toward infrared and Raman intensities on the basis of a Voronoi tessellation of the electron density. This technique is superior to existing approaches regarding the computational resources needed. Moreover, this book presents an innovative approach to obtaining the magnetic moments and vibrational circular dichroism spectra of liquids, and demonstrates its excellent agreement with experimental reference data.
Book Synopsis Vibrational Spectroscopy of Molecular Liquids and Solids by : S. Bratos
Download or read book Vibrational Spectroscopy of Molecular Liquids and Solids written by S. Bratos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has its or1g1n in a NATO Summer School organized from June 25 to July 7 1979, in Menton, France. The purpose of this School was a comparative study of the various aspects of vibra tional spectroscopy in molecular liquids and solids. This field has been rapidly expanding in the last decade; unfortunately, its development took place independently for liquids and for solids. In these circumstances, the comparison of the basic concepts and techniques used in these two branches of physics appeared as a necessity. The lectures given at the Menton Advanced Study Institute, as well as the exceptionally fruitful and lively discussions which followed them confirmed this point of view. The need of putting together these lectures, in the form of a monograph, clearly appeared during the ASI and the lecturers accepted to write down the material they presented at the Institute, improved thanks to the remarks of the participants. It is the result of this collective work which appears in the familiar Plenum Series.
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 Ultrafast Infrared Vibrational Spectroscopy by : Michael D. Fayer
Download or read book Ultrafast Infrared Vibrational Spectroscopy written by Michael D. Fayer and published by CRC Press. This book was released on 2013-03-04 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.
Book Synopsis Vibrational Spectroscopy With Neutrons - With Applications In Chemistry, Biology, Materials Science And Catalysis by : Philip C H Mitchell
Download or read book Vibrational Spectroscopy With Neutrons - With Applications In Chemistry, Biology, Materials Science And Catalysis written by Philip C H Mitchell and published by World Scientific. This book was released on 2005-06-15 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.
Book Synopsis The Vibrational Spectroscopy of Polymers by : D. I. Bower
Download or read book The Vibrational Spectroscopy of Polymers written by D. I. Bower and published by Cambridge University Press. This book was released on 1992-07-16 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes the theory and practice of infrared and Raman spectroscopy as applied to the study of the physical and chemical characteristics of polymers. Its purpose is to give the beginning researcher in the field a firm foundation and a starting point for the study of more advanced literature. To this end the book concentrates on the fundamentals of the theory and nomenclature, and on the discussion of well-documented illustrations of these fundamental principles, including many now-classic studies in the subject. No previous knowledge of either polymers or vibrational spectroscopy is assumed.
Book Synopsis Coherent Vibrational Dynamics by : Guglielmo Lanzani
Download or read book Coherent Vibrational Dynamics written by Guglielmo Lanzani and published by CRC Press. This book was released on 2007-11-29 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and
Book Synopsis Vibrational Spectroscopy of Biological and Polymeric Materials by : Vasilis G. Gregoriou
Download or read book Vibrational Spectroscopy of Biological and Polymeric Materials written by Vasilis G. Gregoriou and published by CRC Press. This book was released on 2005-11-14 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Used primarily for characterizing polymers and biological systems, vibrational spectroscopy continues to uncover structural information pertinent to a growing number of applications. Vibrational Spectroscopy of Biological and Polymeric Materials compiles the latest developments in advanced infrared and Raman spectroscopic techniques that are
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 Simple Dense Fluids by : H.L. Frisch
Download or read book Simple Dense Fluids written by H.L. Frisch and published by Elsevier. This book was released on 2012-12-02 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simple Dense Fluids is a nine-chapter text that explores the chemistry and physics of simple fluid systems. Simple systems primarily include the noble gases, the homonuclear diatomic molecules, and a select group of some polyatomic but spherically symmetrical molecules. The opening chapter describes the change of thermodynamic functions along the saturation line and how these functions can best be obtained from sets of measurements that are often in conflict, with an emphasis on the functions of three simple liquids: argon, nitrogen, and oxygen. The following chapter outlines the basic thermodynamic and statistical mechanical ideas that have been applied to the liquid-vapor interface, followed by a summary of surface tension data of simple fluids. Considerable chapters are devoted to X-ray, light, and neutron scattering measurements on simple dense fluids. This book further discusses the use of electromagnetic data, especially the dielectric constant and refractive index, in the interpretation of molecular interactions and molecular structure. The available experimental data on several nonpolar liquids and liquid mixtures are also provided. The final chapters survey the nuclear relaxation and spectroscopic data in simple liquids. These chapters also present experimental data relevant to transport phenomena in simple fluids. Workers and researchers in the field of simple dense fluids will find this book of great value.
Book Synopsis Wave Optics in Infrared Spectroscopy by : Thomas G. Mayerhöfer
Download or read book Wave Optics in Infrared Spectroscopy written by Thomas G. Mayerhöfer and published by Elsevier. This book was released on 2024-05-23 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: Wave Optics in Infrared Spectroscopy starts where conventional books about infrared spectroscopy end. Whereas the latter are based on the Bouguer-Beer-Lambert law, the cornerstones of this book are wave optics and dispersion theory. This gap between both levels of theory is bridged to allow a seamless transition from one to the other. Based on these foundations, the reader is able to choose which level of theory is adequate for the particular problem at hand. Advanced topics like 2D correlation analysis, chemometrics and strong coupling are introduced and viewed from a wave optics perspective. Spectral mixing rules are also considered to better understand spectra of heterogeneous samples. Finally, optical anisotropy is examined to allow a better understanding of spectral features due to orientation and orientational averaging. This discussion is based on a 4 x 4 matrix formalism, which is used not only to simulate and analyze complex materials, but also to understand vibrational circular dichroism from a (semi-) classical point of view. Wave Optics in Infrared Spectroscopy is written as a tool to reunite the fragmented field of infrared spectroscopy. It will appeal to chemists, physicists, and chemical/optical engineers. - Assists the reader (including those with less physical science backgrounds) in using more of the extensive benefits that infrared spectroscopy can provide by making them better aware and informed about the higher-level theory - Foundations of the book are built on wave optics and dispersion theory versus the Bouguer-Beer-Lambert law of conventional infrared spectroscopy literature - Limits of lower level of theory are explained in detail - Provides a thorough introduction to more sophisticated topics with a smooth transition from lower to higher-level theory
Book Synopsis Polymerized Ionic Liquids by : Ali Eftekhari
Download or read book Polymerized Ionic Liquids written by Ali Eftekhari and published by Royal Society of Chemistry. This book was released on 2017-09-18 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series covers the fundamentals and applications of different smart material systems from renowned international experts.
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 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book Supercritical Fluids written by Y. Arai and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: The potential of supercritical fluid methods is presented in a comprehensive way. On the basis of a careful discussion of physical and chemical principles, the application of this method in process technology is demonstrated.
Book Synopsis Water in Confining Geometries by : V. Buch
Download or read book Water in Confining Geometries written by V. Buch and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. It compiles and relates interdisciplinary work on this hot topic of research important in many areas of science and technology.
Book Synopsis Encyclopedia of Ionic Liquids by : Suojiang Zhang
Download or read book Encyclopedia of Ionic Liquids written by Suojiang Zhang and published by Springer Nature. This book was released on 2023-02-03 with total page 1391 pages. Available in PDF, EPUB and Kindle. Book excerpt: The encyclopedia consists 13 subareas as follows: 1: Synthesis and Characterisation of Ionic Liquids (Section Editors: Prof. Fu-Wei Li and Prof. Zhen Li) 2: Physicochemical Properties of Ionic Liquids (Section Editors: Asso. Prof. Qing Zhou, Prof. Xingmei Lu and Prof. Xiaoyan Ji) 3: Computational and Theoretical Modeling of Ionic Liquids (Section Editors: Prof. Guang Feng and Prof. Peter T. Cummings) 4: Toxicology and Biodegradation of Ionic Liquids (Section Editors: Prof. Chunxi Li and Prof. Stefan Stolte) 5: Ionic Liquids in Electrochemistry (Section Editors: Prof. Yingying Lu, Prof. Houlong Zhuang and Prof. Chuan Zhao) 6. Ionic Liquids in Organic Reaction (Section Editors: Prof. Liang-Nian He and Prof. Bhalchandra M. Bhanage) 7. Ionic Liquids in Separation (Section Editors: Prof. Huabin Xing) 8. Ionic Liquids in Biomass and Biomolecules (Section Editors: Prof. Toshiyuki Itoh and Prof. Jian Sun) 9. Ionic Liquids in Materials Science (Section Editors: Prof. Sheng Dai and Prof. Tao Wang) 10. Ionic Liquids in Polymer Science (Section Editors: Asso. Prof. Jinming Zhang and Prof. Jun Zhang) 11. Ionic Liquids in Environmental Science (Section Editors: Prof. Tiancheng Mu, Prof. Arunprakash T. Karunanithi and Prof. Yingxiong Wang) 12. Ionic Liquids in Green Chemistry (Section Editors: Prof. Buxing Han and Prof. Peter Licence) 13. Emerging Applications of Ionic Liquids (Pharmacology, Food Science, Agriculture, Nuclear Science Technology, Optics) (Section Editors: Prof. Zhonghao Li and Prof. Maya Guncheva) This encyclopedia is systematic and comprehensive, with detailed descriptions about theory, technology, and industrial applications. This encyclopedia is valuable for students, researchers and industrial players, giving them a quick understanding and overview of ionic liquids in various aspects.
Book Synopsis Water at Interfaces by : Jordi Fraxedas
Download or read book Water at Interfaces written by Jordi Fraxedas and published by CRC Press. This book was released on 2014-04-15 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water, with its simple molecular structure, reveals a complex nature upon interaction with other molecules and surfaces. Water at Interfaces: A Molecular Approach provides a broad, multidisciplinary introduction to water at interfaces, focusing on its molecular characteristics. The book considers interfaces at different length scales from single wa
