Spectroscopic And Computational Studies Of Supramolecular Systems
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Spectroscopic And Computational Studies Of Supramolecular Systems
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Author : J.E. Davies
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Spectroscopic And Computational Studies Of Supramolecular Systems written by J.E. Davies and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
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.
Spectroscopic And Computational Studies Of Supramolecular Systems
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Author : J. E. Davies
language : en
Publisher:
Release Date : 2014-01-15
Spectroscopic And Computational Studies Of Supramolecular Systems written by J. E. Davies and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Handbook Of Zeolite Science And Technology
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Author : Scott M. Auerbach
language : en
Publisher: CRC Press
Release Date : 2003-07-31
Handbook Of Zeolite Science And Technology written by Scott M. Auerbach and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-07-31 with Technology & Engineering categories.
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.
Host Guest Chemistry
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Author : Brian D. Wagner
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-10-26
Host Guest Chemistry written by Brian D. Wagner and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-26 with Science categories.
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.
Spectroscopic Properties Of Inorganic And Organometallic Compounds
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Author : G Davidson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Spectroscopic Properties Of Inorganic And Organometallic Compounds written by G Davidson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr
Clathrate Hydrates 2 Volumes
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Author : John A. Ripmeester
language : en
Publisher: John Wiley & Sons
Release Date : 2022-05-31
Clathrate Hydrates 2 Volumes written by John A. Ripmeester and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-31 with Technology & Engineering categories.
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.
Proceedings Of The Symposium On Recent Advances In The Chemistry And Physics Of Fullerenes And Related Materials
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Author : Karl M. Kadish
language : en
Publisher: The Electrochemical Society
Release Date : 1994
Proceedings Of The Symposium On Recent Advances In The Chemistry And Physics Of Fullerenes And Related Materials written by Karl M. Kadish and has been published by The Electrochemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Science categories.
Reviews In Computational Chemistry Volume 4
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-22
Reviews In Computational Chemistry Volume 4 written by Kenny B. Lipkowitz and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-22 with Science categories.
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.
Superhalogens And Superalkalis
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Author : Pratim Kumar Chattaraj
language : en
Publisher: CRC Press
Release Date : 2024-04-15
Superhalogens And Superalkalis written by Pratim Kumar Chattaraj and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-15 with Science categories.
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.
Collision And Interaction Induced Spectroscopy
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Author : G.C. Tabisz
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Collision And Interaction Induced Spectroscopy written by G.C. Tabisz and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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.