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Spectroscopic And Computational Studies Of Supramolecular Systems
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Book Synopsis Spectroscopic and Computational Studies of Supramolecular Systems by : J.E. Davies
Download or read book Spectroscopic and Computational Studies of Supramolecular Systems written by J.E. Davies and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical techniques such as X-ray crystallography, IR spectroscopy and solution-phase NMR spectroscopy have played key roles in the development of supramolecular chemistry. In recent years other spectroscopic techniques have been applied, expanding the range of information obtainable. The most widely used technique is solid-state NMR spectroscopy but techniques such as neutron scattering and NQR spectroscopy can yield significant information. Computational approaches are now becoming powerful complementary methods to experimental techniques and this book reviews the application of these methods to supramolecular systems. The ten chapters provide up-to-date information on the applications of spectroscopic and computational techniques to a wide range of supramolecular systems: Solid State NMR Studies of Host-Guest Materials Infrared Studies of Zeolite Complexes NQR Studies of Inclusion Compounds Neutron Scattering Studies of Zeolite Complexes Solid State NMR Studies of Catalytic Reactions on Molecular Sieves Recent Advances in Computational Studies of Zeolites Theoretical Studies of Cyclodextrins and their Inclusion Complexes Computer Modelling of the Structures of Host-Guest Complexes Computational Studies of Clathrate Hydrates Ab initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster. This timely book will prove to be of great value to supramolecular researchers who are familiar with the spectroscopic techniques but who wish to extend their knowledge of the computational methods (and vice versa), to supramolecular researchers working in allied areas whose work would benefit from applying spectroscopic and computational methods, and finally to workers just entering the fascinating area of supramolecular chemistry.
Book Synopsis Spectroscopic and Computational Studies of Supramolecular Systems by : J. E. Davies
Download or read book Spectroscopic and Computational Studies of Supramolecular Systems written by J. E. Davies and published by . This book was released on 2014-01-15 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Host–Guest Chemistry by : Brian D. Wagner
Download or read book Host–Guest Chemistry written by Brian D. Wagner and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-10-26 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook addresses the chemical and physicochemical principles of supramolecular host-guest chemistry in solution. It covers the thermodynamics and dynamics of inclusion and highlights several types of organic hosts. Various applications of host-guest chemistry in analytical and environmental chemistry as well as pharmaceutical and chemical industry demonstrate the versatile usability of molecular cages.
Book Synopsis Clathrate Hydrates by : John A. Ripmeester
Download or read book Clathrate Hydrates written by John A. Ripmeester and published by John Wiley & Sons. This book was released on 2022-02-09 with total page 835 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clathrate Hydrates All-inclusive reference on clathrate hydrates from a molecular perspective Clathrate hydrates are crystalline water-based inclusion compounds many of which form at high pressures and low temperatures. Molecular science has provided the foundation for many areas of modern hydrate research and applications ranging from desalination processes to flow assurance in oil and gas pipelines. Clathrate Hydrates provides detailed information on the molecular science aspects of hydrate research, covering the structural, compositional, spectroscopic, thermodynamic, and mechanical properties of clathrate hydrates as well as simulation methods and selected engineering applications. Edited and authored by recognized leaders in the field, this comprehensive resource introduces readers to clathrate hydrates and reviews the state-of-the-art of the field. In-depth chapters address different areas of specialization such as characterization of clathrate hydrates using NMR spectroscopy, infrared and Raman spectroscopy, and X-ray and neutron diffraction and scattering. Highlights recent developments in clathrate hydrate research and applications such as natural gas recovery, desalination, and gas separation Reviews various molecular simulation methods for characterizing clathrate hydrates, including quantum mechanical calculations and Monte Carlo results Contains tables of known guest molecules, summaries of structural and physical properties, and different classes of clathrate hydrate phase equilibria Introduces unconventional guest-host interactions, related non-hydrate clathrates, and space-filling cages using the Frank-Kasper approach Covers the molecular motion of guest and host molecules and the relationship between cage geometry and guest dynamics Presents the rate and mechanisms of hydrate formation and decomposition from both macroscopic and microscopic points Clathrate Hydrates: Molecular Science and Characterization is an indispensable reference for materials scientists, physical chemists, chemical engineers, geochemists, and graduate students in relevant areas of science and engineering.
Book Synopsis Reviews in Computational Chemistry, Volume 4 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 4 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them. The series was established to review the high volume of developments in the field. Rather than create a traditional article, each author approaches a topic to enable the reader to understand and solve problems and locate key references quickly. Each article has tutorial value. An updated compendium of software for molecular modeling appears as an appendix as in previous volumes. To the editors' knowledge, this is the most complete listing of sources of software for computational chemistry anywhere.
Book Synopsis Collision- and Interaction-Induced Spectroscopy by : G.C. Tabisz
Download or read book Collision- and Interaction-Induced Spectroscopy written by G.C. Tabisz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 581 pages. Available in PDF, EPUB and Kindle. Book excerpt: Collision-or interaction-induced spectroscopy refers to radiative transitions, which are forbidden in free atoms or molecules, but which occur in clusters of interacting atoms or molecules. The most common phenomena are induced absorption, in the infrared region, and induced light scattering, which involves inelastic scattering of visible laser light. The particle interactions giving rise to the necessary induced dipole moments and polarizabilities are modelled at long range by multipole expansions; at short range, electron overlap and exchange mechanisms come into play. Information on atomic and molecular interactions and dynamics in dense media on a picosecond timescale may be drawn from the spectra. Collision-induced absorption in the infrared was discovered at the University of Toronto in 1949 by Crawford, Welsh and Locke who studied liquid O and N. Through the 1950s and 1960s, 2 2 experimental elucidation of the phenomenon, particularly in gases, continued and theoretical underpinnings were established. In the late 1960s, the related phenomenon of collision-induced light scattering was first observed in compressed inert gases. In 1978, an 'Enrico Fermi' Summer School was held at Varenna, Italy, under the directorship of J. Van Kranendonk. The lectures, there, reviewed activity from the previous two decades, during which the approach to the subject had not changed greatly. In 1983, a highly successful NATO Advanced Research Workshop was held at Bonas, France, under the directorship of G. Birnbaum. An important outcome of that meeting was the demonstration of the maturity and sophistication of current experimental and theoretical techniques.
Book Synopsis Handbook of Zeolite Science and Technology by : Scott M. Auerbach
Download or read book Handbook of Zeolite Science and Technology written by Scott M. Auerbach and published by CRC Press. This book was released on 2003-07-31 with total page 1526 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Zeolite Science and Technology offers effective analyses ofsalient cases selected expressly for their relevance to current and prospective research. Presenting the principal theoretical and experimental underpinnings of zeolites, this international effort is at once complete and forward-looking, combining fundamental concepts with the most sophisticated data for each scientific subtopic and budding technology. Supplying over 750 figures, and 350 display equations, this impressive achievement in zeolite science observes synthesis through the lens of MFI (ZSM-5 and silicalite). Chapters progress from conceptual building blocks to complex research presentations.
Book Synopsis Characterization I by : Hellmut G. Karge
Download or read book Characterization I written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2004-02-09 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 are grouped together topically in such a way that each volume of the book series deals with a specific sub-field. Volume 4 covers the characterization of molecular sieves with the help of the most important spectroscopic techniques (Characterization I), i.e. IR, Raman, NMR, EPR, UV-VIS Spectroscopy, X-ray absorption, photoelectron and Mössbauer Spectroscopy. Theory, experiment and application in selected examples are discussed.
Book Synopsis Handbook of Multiphase Flow Assurance by : Taras Y. Makogon
Download or read book Handbook of Multiphase Flow Assurance written by Taras Y. Makogon and published by Gulf Professional Publishing. This book was released on 2019-06-04 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: Handbook of Multiphase Flow Assurance allows readers to progress in their understanding of basic phenomena and complex operating challenges. The book starts with the fundamentals, but then goes on to discuss phase behavior, fluid sampling, fluid flow properties and fluid characterization. It also covers flow assurance impedance, deliverability, stability and integrity issues, as well as hydraulic, thermal and risk analysis. The inclusion of case studies and references helps provide an industrial focus and practical application that makes the book a novel resource for flow assurance management and an introductory reference for engineers just entering the field of flow assurance. Starts with flow assurance fundamentals, but also includes more complex operating challenges Brings together cross-disciplinary discussions and solutions of flow assurance in a single text Offers case studies and reference guidelines for practical applications
Book Synopsis Catalytic Transformation of Renewables (Olefin, Bio-Sourced, et. al) by : Nikolaos Dimitratos
Download or read book Catalytic Transformation of Renewables (Olefin, Bio-Sourced, et. al) written by Nikolaos Dimitratos and published by MDPI. This book was released on 2021-08-30 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: The objective of this Special Issue is to provide new contributions in the area of biomass valorization using heterogeneous catalysts and focusing specifically on the structure/activity relationships of specific and important oxidation, hydrogenation, hydrodeoxygenation and biocatalytic processes. The issue emphasizes the influence of the design and morphology of the catalyst, in terms of particle size, redox and acid-base properties and catalyst stability. Finally, mechanistic studies and examples of design and optimization of industrial processes are presented.
Book Synopsis Capillary Electrophoresis in Chiral Analysis by : Bezhan Chankvetadze
Download or read book Capillary Electrophoresis in Chiral Analysis written by Bezhan Chankvetadze and published by John Wiley & Sons. This book was released on 1997-12-29 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: Das weltweite Interesse an der Trennung von Enantiomeren, Spiegelbildern ein und derselben chemischen Verbindung, nimmt zu, da diese Formen beispielsweise verschiedene physiologische Wirkungen hervorrufen können. Eine hochaktuelle Technik der Stofftrennung in diesem Zusammenhang ist die Kapillarelektrophorese, die hier von den theoretischen Grundlagen bis hin zu analytischen Details und Anbieterlisten ausführlich beschrieben wird.
Book Synopsis Verified Synthesis of Zeolitic Materials by : H. Robson
Download or read book Verified Synthesis of Zeolitic Materials written by H. Robson and published by Gulf Professional Publishing. This book was released on 2001-06-12 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeolite synthesis is an active field of research. As long as this continues, new phases will be discovered and new techniques for preparing existing phases will appear. This edition of Verified Synthesis of Zeolitic Materials contains all the recipes from the first edition plus 24 new recipes. Five new introductory articles have been included plus those from the first edition, some of which have been substantially revised. The XRD patterns have been recorded using different instrument settings from those in the first edition and are intended to conform to typical X-ray diffraction practice. In most cases, only the XRD pattern for the productas synthesised is printed here. The exceptions are those phases which show marked changes in the XRD pattern upon calcination.
Book Synopsis Proceedings of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials by : Karl M. Kadish
Download or read book Proceedings of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials written by Karl M. Kadish and published by The Electrochemical Society. This book was released on 1994 with total page 1784 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis 35 Years Of Condensed Matter And Related Physics - Proceedings Of The Raymond L Orbach Symposium by : Daniel W Hone
Download or read book 35 Years Of Condensed Matter And Related Physics - Proceedings Of The Raymond L Orbach Symposium written by Daniel W Hone and published by World Scientific. This book was released on 1996-10-02 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 9 papers of this volume were presented at the March 1995 Symposium honoring Raymond L Orbach on his 60th birthday. The range of topics reflects the breadth of Dr Orbach's own research. It includes magnetism and transport in nanostructures, crystal fields in superconducting cuprates, fractons and scaling in disordered systems, glassy relaxation, inelastic atom-crystal scattering, bosonization in d > 1, and microwave effects in superconductors.
Book Synopsis Superhalogens and Superalkalis by : Pratim Kumar Chattaraj
Download or read book Superhalogens and Superalkalis written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2024-04-15 with total page 283 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superhalogens and Superalkalis is a comprehensive volume designed as the go-to resource on the exciting and evolving topics of these special classes of atomic clusters and the acid salt that results from their interactions. The book details how these substances possess not only unusual structures but also unique properties which can be exploited for various applications. Superhalogens’ strong oxidizing capacity, resulting from their high-electron affinity, leads to their applications in the design of superacids, organic superconductors, and ionic liquids. The low ionization energy of superalkalis enables them to act as strong reducing agents, making them useful in the design of superbases and alkalides. Illustrated throughout, this timely book provides an overview of the research and development on these and other aspects of superhalogen and superalkalis. Key features: Offers a basic introduction of superatoms that is accessible for readers to understand Includes extensive study questions after each chapter Provides a systematic presentation of the existing literature on this increasingly trending topic Presents the latest developments in the field, offering readers state-of-art knowledge This book is a key reference guide for graduate students, postdocs, upper-level undergraduate students, academic professionals, and researchers who are interested in this fascinating topic.
Book Synopsis Computational Strategies for Spectroscopy by : Vincenzo Barone
Download or read book Computational Strategies for Spectroscopy written by Vincenzo Barone and published by John Wiley & Sons. This book was released on 2011-11-01 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.
Book Synopsis Zeolites and Related Materials: Trends Targets and Challenges(SET) by : Antoine Gedeon
Download or read book Zeolites and Related Materials: Trends Targets and Challenges(SET) written by Antoine Gedeon and published by Elsevier. This book was released on 2008-08-19 with total page 1423 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book "Zeolites and Related Materials: Trends, Targets and Challenges" reports the communications that have been presented at the 4th International FEZA (Federation of European Zeolite Associations) Conference in Paris, September 3-6, 2008. It gives an excellent overview of the present state of the art of ordered nanoporous solids including zeolites as well as synthetic layered materials (clays), nanosized molecular sieves, ordered mesoporous solids, metal-organic-framework compounds (MOFs), carbons, etc. with emphasis on the synthesis, comprehensive characterization and advanced applications. The significant research activities in this domain are due to the outstanding properties of those nanoporous materials that concentrate the collaborative efforts of researchers from material science, chemistry, physical chemistry and physics.The understanding and development of the unique properties of porous materials relies on a unique blend of multidisciplinary knowledge covering material science, with the implication of organic and colloid chemistry, to prepare micro- and mesoporous materials; surface and adsorption sciences sustained by theory and modelling to understand the peculiar behaviour of molecules in confined systems; special branches of catalysis, physics, chemical engineering and life science to design novel applications. This book summarizes the developments in the area of nanoporous solids at the dawn of the 21st century, useful for both students/young researchers entering the field of nanoporous materials, as well as for senior scientists Also summarizes the new family of porous compounds, e.g. MOF's and ordered porous carbon The present state-of-the-art and prospects of nanoporous solids for advanced applications is discussed
