Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Modeling Nmr Chemical Shifts
Download Modeling Nmr Chemical Shifts full books in PDF, epub, and Kindle. Read online Modeling Nmr Chemical Shifts ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
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 Modelling 1H NMR Spectra of Organic Compounds by : Raymond J. Abraham
Download or read book Modelling 1H NMR Spectra of Organic Compounds written by Raymond J. Abraham and published by John Wiley & Sons. This book was released on 2008-11-20 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a theoretical introduction to graduate scientists and industrial researchers towards the understanding of the assignment of 1H NMR spectra Discusses, and includes on enclosed CD, one of the best, the fastest and most applicable pieces of NMR prediction software available Allows students of organic chemistry to solve problems on 1H NMR with access to over 500 assigned spectra
Book Synopsis Nuclear Magnetic Resonance Volume 47 by : Paul Hodgkinson
Download or read book Nuclear Magnetic Resonance Volume 47 written by Paul Hodgkinson and published by Royal Society of Chemistry. This book was released on 2021-11-29 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of nuclear magnetic resonance span a wide range of scientific disciplines, from physics to medicine. For those wanting to become acquainted with NMR or seasoned practitioners, this is a valuable source of current methods and applications.
Download or read book Gas Phase NMR written by Karol Jackowski and published by Royal Society of Chemistry. This book was released on 2016-02-09 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the recent NMR studies with the application of gaseous molecules. Among the comprehensively discussed aspects of the area it includes in particular: new multinuclear experiments that deliver spectral parameters of isolated molecules and provide the most accurate values of nuclear magnetic shielding, isotropic spin–spin coupling and relaxation times; advanced, precise and correct theoretical descriptions of spectral parameters of molecules as well as the application of gas-phase NMR measurements to chemical analysis and medicine. The progress of research in these fields is enormous and has rapidly changed our knowledge and understanding of molecular parameters in NMR spectroscopy. For example, accurate studies of the shielding for isolated molecules allow the exact determination of nuclear magnetic dipole moments, the calculated values of spectral parameters can be verified by precise gas-phase NMR measurements, and the application of hyperpolarized noble gases provides excellent MRI pictures of lungs. Aimed at graduates and researchers in spectroscopy, analytical chemistry and those researching the applications of NMR in medicine, this book presents the connections between sophisticated experiments, the theory of magnetic parameters and the exploration of new methods in practice.
Book Synopsis Biological NMR Spectroscopy by : John L. Markley
Download or read book Biological NMR Spectroscopy written by John L. Markley and published by Oxford University Press. This book was released on 1997-01-30 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a critical assessment of progress on the use of nuclear magnetic resonance spectroscopy to determine the structure of proteins, including brief reviews of the history of the field along with coverage of current clinical and in vivo applications. The book, in honor of Oleg Jardetsky, one of the pioneers of the field, is edited by two of the most highly respected investigators using NMR, and features contributions by most of the leading workers in the field. It will be valued as a landmark publication that presents the state-of-the-art perspectives regarding one of today's most important technologies.
Book Synopsis Molecular Modeling Theory by : Randall T. Cygan
Download or read book Molecular Modeling Theory written by Randall T. Cygan and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems. The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia.
Book Synopsis Calculation of NMR and EPR Parameters by : Martin Kaupp
Download or read book Calculation of NMR and EPR Parameters written by Martin Kaupp and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 621 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind. The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.
Book Synopsis Endocrine Disruption Modeling by : James Devillers
Download or read book Endocrine Disruption Modeling written by James Devillers and published by CRC Press. This book was released on 2009-04-27 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uses Computational Tools to Simulate Endocrine Disruption PhenomenaEndocrine Disruption Modeling provides a practical overview of the current approaches for modeling endocrine activity and the related potential adverse effects they may induce on environmental and human health. Based on the extensive research of an international panel of contributor
Book Synopsis Structural Bioinformatics by : Zoltán Gáspári
Download or read book Structural Bioinformatics written by Zoltán Gáspári and published by Humana. This book was released on 2021-02-15 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume looks at the latest techniques used to perform comparative structure analyses, and predict and evaluate protein-ligand interactions. The chapters in this book cover tools and servers such as LiteMol; Bio3D-Web; DALI; CATH; HoTMuSiC, a contact-base protein structure analysis tool known as CAD-Score; PyDockSaxs and HADDOCK; CombDock and DockStar; the BioMagResBank database; as well as BME and CoNSEnsX+. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step, readily reproducible computational protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and comprehensive, Structural Bioinformatics: Methods and Protocols is a practical guide for researchers to learn more about the aforementioned tools to further enhance their studies in the growing field of structural bioinformatics. Chapter 13 is available open access under a CC-BY 4.0 license via link.springer.com.
Book Synopsis Molecular Modeling and Simulation of Hydrogen Bonding Pure Fluids and Mixtures by : Thorsten Schnabel
Download or read book Molecular Modeling and Simulation of Hydrogen Bonding Pure Fluids and Mixtures written by Thorsten Schnabel and published by Logos Verlag Berlin GmbH. This book was released on 2008 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Understanding NMR Spectroscopy by : James Keeler
Download or read book Understanding NMR Spectroscopy written by James Keeler and published by John Wiley & Sons. This book was released on 2011-09-19 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually ‘work’. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced: How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR. Spin system analysis i.e. how shifts and couplings can be extracted from strongly-coupled (second-order) spectra. How the presence of chemically equivalent spins leads to spectral features which are somewhat unusual and possibly misleading, even at high magnetic fields. A discussion of chemical exchange effects has been introduced in order to help with the explanation of transverse relaxation. The double-quantum spectroscopy of a three-spin system is now considered in more detail. Reviews of the First Edition “For anyone wishing to know what really goes on in their NMR experiments, I would highly recommend this book” – Chemistry World “...I warmly recommend for budding NMR spectroscopists, or others who wish to deepen their understanding of elementary NMR theory or theoretical tools” – Magnetic Resonance in Chemistry
Book Synopsis Intrinsically Disordered Protein Analysis by : Vladimir N. Uversky
Download or read book Intrinsically Disordered Protein Analysis written by Vladimir N. Uversky and published by Humana Press. This book was released on 2012-07-05 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade, there has been an explosive development of research of intrinsically disordered proteins (IDPs), which are also known as unfolded proteins. Structural biologists now recognize that the functional diversity provided by disordered regions complements the functional repertoire of ordered protein regions. In Intrinsically Disordered Protein Analysis :Methods and Experimental Tools, expert researchers explore the high abundance of IDPs in various organisms, their unique structural features, numerous functions, and crucial associations with different diseases. Volume 1 includes sections on assessing IDPs in the living cell,NMR based techniques, vibrational spectroscopy, and other spectroscopic techniques. Written in the highly successful Methods in Molecular BiologyTM series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Intrinsically Disordered Protein Analysis: Methods and Experimental Tools helps scientists further their investigations of these fascinating and dynamic molecules.
Book Synopsis Rotational Isomeric State Models in Macromolecular Systems by : Matthias Rehan
Download or read book Rotational Isomeric State Models in Macromolecular Systems written by Matthias Rehan and published by Springer. This book was released on 2006-05-09 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past 40 years, RIS models for hundreds of polymer structures have been developed, and now the RIS approach is available in several software packages. However, users are often faced with the time-consuming task of finding the appropriate RIS parameters among the literature. This book facilitates this task by providing a comprehensive overview of the models available. It reviews the literature from the very first applications to the end of 1994, comprises synthetic as well as naturally occuring macromolecules, and tabulates all the pertinent features of published models. It will thus help readers, even those new to this method, to take advantage of this computationally efficient way of assessing the conformational properties of macromolecular systems.
Book Synopsis Theoretical Models of Chemical Bonding by : Zvonimir B. Maksic
Download or read book Theoretical Models of Chemical Bonding written by Zvonimir B. Maksic and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 643 pages. Available in PDF, EPUB and Kindle. Book excerpt: The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.
Author :Zvonimir B. Maksić Publisher :Springer Science & Business Media ISBN 13 :9783540522522 Total Pages :668 pages Book Rating :4.5/5 (225 download)
Book Synopsis Theoretical Models of Chemical Bonding by : Zvonimir B. Maksić
Download or read book Theoretical Models of Chemical Bonding written by Zvonimir B. Maksić and published by Springer Science & Business Media. This book was released on 1991 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Book Synopsis Drug Discovery Handbook by : Shayne Cox Gad
Download or read book Drug Discovery Handbook written by Shayne Cox Gad and published by John Wiley & Sons. This book was released on 2005-06-24 with total page 1494 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Drug Discovery Handbook gives professionals a tool to facilitate drug discovery by bringing together, for the first time in one resource, a compendium of methods and techniques that need to be considered when developing new drugs. This comprehensive, practical guide presents an explanation of the latest techniques and methods in drug discovery, including: Genomics, proteomics, high-throughput screening, and systems biology Summaries of how these techniques and methods are used to discover new central nervous system agents, antiviral agents, respiratory drugs, oncology drugs, and more Specific approaches to drug discovery, including problems that are encountered, solutions to these problems, and limitations of various methods and techniques The thorough coverage and practical, scientifically valid problem-solving approach of Drug Discovery Handbook will serve as an invaluable aid in the complex task of developing new drugs.
