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Ab Initio Calculations Of Conformational Effects On 13c Nmr Spectra Of Amorphous Polymers
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Book Synopsis Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers by : R. Born
Download or read book Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers written by R. Born and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: In NMR, it is well-known that the chemical shift conveys structural informa tion, e. g. a carbonyl carbon will have a resonance frequency appreciably dif ferent from a methyl carbon, etc. The relation between structure and chemical shift is mostly established by empirical rules on the basis of prior experience. It is only quite recently that the advent of both comparatively cheap comput ing power and novel quantum chemistry approaches have provided feasible routes to calculate the chemical shift at the ab initio level for molecules of reasonable size. This raises the question whether application of these novel theoretical concepts offers a means of obtaining new structural information for the complex chain molecules one deals with in polymer science. Solid state 13C-NMR spectra of glassy amorphous polymers display broad, partially structured resonance regions that reflect the underlying disorder of the polymer chains. The chemical shift responds to the variation of the ge ometry of the chain, and the broad resonance regions can be explained by an inhomogeneous superposition of various chain geometries (and thus chem ical shifts). In this review, we present a novel approach to combine polymer chain statistical models, quantum chemistry and solid state NMR to pro vide quantitative information about the local chain geometry in amorphous polymers. The statistical model yields the relative occurrence of the various geometries, and quantum chemistry (together with a force field geometry op timization) establishes the link between geometry and chemical shift.
Book Synopsis Concise Encyclopedia of Magnetic and Superconducting Materials by : K.H.J. Buschow
Download or read book Concise Encyclopedia of Magnetic and Superconducting Materials written by K.H.J. Buschow and published by Elsevier. This book was released on 2005-12-28 with total page 1361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Magnetic and superconducting materials pervade every avenue of the technological world – from microelectronics and mass-data storage to medicine and heavy engineering. Both areas have experienced a recent revitalisation of interest due to the discovery of new materials, and the re-evaluation of a wide range of basic mechanisms and phenomena. This Concise Encyclopedia draws its material from the award-winning Encyclopedia of Materials and Engineering, and includes updates and revisions not available in the original set -- making it the ideal reference companion for materials scientists and engineers with an interest in magnetic and superconducting materials. Contains in excess of 130 articles, taken from the award-winning Encyclopedia of Materials: Science and Technology, including ScienceDirect updates not available in the original set Each article discusses one aspect of magnetic and superconducting materials and includes photographs, line drawings and tables to aid the understanding of the topic at hand Cross-referencing guides readers to articles covering subjects of related interest
Book Synopsis Solid State NMR Spectroscopy for Biopolymers by : Hazime Saitô
Download or read book Solid State NMR Spectroscopy for Biopolymers written by Hazime Saitô and published by Springer Science & Business Media. This book was released on 2006-08-05 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: ‘‘Biopolymers’’ are polymeric materials of biological origin, including globular, membrane, and fibrous proteins, polypeptides, nucleic acids, po- saccharides, lipids, etc. and their assembly, although preference to respe- ive subjects may be different among readers who are more interested in their biological significance or industrial and/or medical applications. Nevert- less, characterizing or revealing their secondary structure and dynamics may be an equally very important and useful issue for both kinds of readers. Special interest in revealing the 3D structure of globular proteins, nucleic acids, and peptides was aroused in relation to the currently active Structural Biology. X-ray crystallography and multidimensional solution NMR sp- troscopy have proved to be the standard and indispensable means for this purpose. There remain, however, several limitations to this end, if one intends to expand its scope further. This is because these approaches are not always straightforward to characterize fibrous or membrane proteins owing to extreme difficulty in crystallization in the former, and insufficient spectral resolution due to sparing solubility or increased effective molecular mass in the presence of surrounding lipid bilayers in the latter.
Book Synopsis Annual Reports on NMR Spectroscopy by :
Download or read book Annual Reports on NMR Spectroscopy written by and published by Academic Press. This book was released on 1997-06-24 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR is used in all areas of modern science, and its applications continue to grow. In 1995 we celebrated the 50th anniversary of the discovery of NMR Spectroscopy and almost 30 years since the appearance of the firstvolume of Annual Reports on NMR Spectroscopy. During these years, a large and diverse collection of topics have been covered, and the contents of Volume 34 are no exception. This volume consists of six chapters covering a wide range of polymer science topics. Each chapter demonstrates the unique ability of NMR to provide information of both general and special interests.
Book Synopsis Nuclear Magnetic Resonance by : G A Webb
Download or read book Nuclear Magnetic Resonance written by G A Webb and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.
Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Book Synopsis Quantum Chemistry by : Tamás Veszprémi
Download or read book Quantum Chemistry written by Tamás Veszprémi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: `Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
Download or read book NMR written by R. Born and published by . This book was released on 1969 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Modeling NMR Chemical Shifts by : Julio C. Facelli
Download or read book Modeling NMR Chemical Shifts written by Julio C. Facelli and published by . This book was released on 1999 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the history of NMR chemical shielding while surveying new developments in the field. Topics include new methods for calculating NMR chemical shifts, calculations of chemical shifts for important biological molecules, new theories about the role of chemical shifts, and modeling methods for chemical shifts in inorganic compounds.
Book Synopsis Multidimensional Solid-State NMR and Polymers by : Klaus Schmidt-Rohr
Download or read book Multidimensional Solid-State NMR and Polymers written by Klaus Schmidt-Rohr and published by Elsevier. This book was released on 2012-12-02 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR spectroscopy is the most valuable and versatile analytical tool in chemistry. While excellent monographs exist on high-resolution NMR in liquids and solids, this is the first book to address multidimensional solid-state NMR. Multidimensional techniques enable researchers to obtain detailed information about the structure, dynamics, orientation, and phase separation of solids, which provides the basis of a better understanding of materials properties on the molecular level.Dramatic progress-much of it pioneered by the authors-has been achieved in this area, especially in synthetic polymers. Solid-state NMR now favorably competes with well-established techniques, such as light, x-ray, or neutron scattering, electron microscopy, and dielectric and mechanical relaxation.The application of multidimensional solid-state NMR inevitably involves use of concepts from different fields of science. This book also provides the first comprehensive treatment of both the new experimental techniques and the theoretical concepts needed in more complex data analysis. The text addresses spectroscopists and polymer scientists by treating the subject on different levels; descriptive, technical, and mathematical approaches are used when appropriate. It presents an overview of new developments with numerous experimental examples and illustrations, which will appeal to readers interested in both the information content as well as the potential of solid-state NMR. The book also contains many previously unpublished details that will be appreciated by those who want to perform the experiments. The techniques described are applicable not only to the study of synthetic polymers but to numerous problems in solid-state physics, chemistry, materials science, and biophysics. Presents original theories and new perspectives on scattering techniques Provides a systematic treatment of the whole subject Gives readers access to previously unpublished material Includes extensive illustrations
Download or read book International Books in Print written by and published by . This book was released on 1998 with total page 1294 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multidimensional Solid-state Nuclear Magnetic Resonance Spectroscopy of Pharmaceuticals and Polymers by : Mark Thomas Zell
Download or read book Multidimensional Solid-state Nuclear Magnetic Resonance Spectroscopy of Pharmaceuticals and Polymers written by Mark Thomas Zell and published by . This book was released on 2000 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Magnetic Resonance and Related Phenomena by :
Download or read book Magnetic Resonance and Related Phenomena written by and published by . This book was released on 1994 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Experimental Methods in Polymer Science by : Toyoichi Tanaka
Download or read book Experimental Methods in Polymer Science written by Toyoichi Tanaka and published by Elsevier. This book was released on 2012-12-02 with total page 619 pages. Available in PDF, EPUB and Kindle. Book excerpt: Successful characterization of polymer systems is one of the most important objectives of today's experimental research of polymers. Considering the tremendous scientific, technological, and economic importance of polymeric materials, not only for today's applications but for the industry of the 21st century, it is impossible to overestimate the usefulness of experimental techniques in this field. Since the chemical, pharmaceutical, medical, and agricultural industries, as well as many others, depend on this progress to an enormous degree, it is critical to be as efficient, precise, and cost-effective in our empirical understanding of the performance of polymer systems as possible. This presupposes our proficiency with, and understanding of, the most widely used experimental methods and techniques.This book is designed to fulfill the requirements of scientists and engineers who wish to be able to carry out experimental research in polymers using modern methods. Each chapter describes the principle of the respective method, as well as the detailed procedures of experiments with examples of actual applications. Thus, readers will be able to apply the concepts as described in the book to their own experiments. Addresses the most important practical techniques for experimental research in the growing field of polymer science The first well-documented presentation of the experimental methods in one consolidated source Covers principles, practical techniques, and actual examples Can be used as a handbook or lab manual for both students and researchers Presents ideas and methods from an international perspective Techniques addressed in this volume include: Light Scattering Neutron Scattering and X-Ray Scattering Fluorescence Spectroscopy NMR on Polymers Rheology Gel Experiments
Book Synopsis Japanese Technical Periodical Index by :
Download or read book Japanese Technical Periodical Index written by and published by . This book was released on 1987 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Magnetic Resonance written by and published by Royal Society of Chemistry. This book was released on 2014-05-21 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: Now in its 43rd volume, the Specialist Periodical Report in Nuclear Magnetic Resonance presents comprehensive and critical reviews of the recent literature, providing the reader with an informed summary of the field from invited authors. Several chapters in this volume are devoted to biochemistry, focussing on carbohydrates, lipids, and proteins and nucleic acids; Malcolm Prior also presents a chapter examining the recent literature of NMR in living systems and Cynthia Jameson reviews the theoretical and physical aspects of nuclear shielding, while Jaroslaw Jazwinski examines the theoretical aspects of spin-spin couplings. The lead volume editor, Krystyna Kamienska-Trela, presents a chapter on the applications of spin-spin couplings. Anyone wishing to update themselves on the recent and hottest developments in NMR will benefit from this volume, which deserves a place in any library or NMR facility. Purchasers of the print edition can register for free access to the electronic edition by returning the enclosed registration card.
Book Synopsis NMR Spectroscopy and Polymer Microstructure by : Alan E. Tonelli
Download or read book NMR Spectroscopy and Polymer Microstructure written by Alan E. Tonelli and published by . This book was released on 1989 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt:
