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Author: Martin Kaupp Publisher: John Wiley & Sons ISBN: 3527604960 Category : Science Languages : en Pages : 621
Book Description
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.
Author: Martin Kaupp Publisher: John Wiley & Sons ISBN: 3527604960 Category : Science Languages : en Pages : 621
Book Description
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.
Author: Nikolas Kaltsoyannis Publisher: Springer Science & Business Media ISBN: 9783540218609 Category : Science Languages : en Pages : 210
Book Description
It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ch- istry has benefited more from the meteoric rise in density functional theory than inorganic chemistry. the ability to obtainreliable results in feasible ti- scales on systems containing heavy elements such as the d and f transition - tals has led to an enormous growth in computational inorganic chemistry. The inorganic chemical literature reflects this growth; it is almost impossible to open a modern inorganic chemistry journal without finding several papers devoted exclusively or in part to density functional theory calculations. The real imp- tance of the rise in density functional theory in inorganic chemistry is undou- edly the much closer synergy between theory and experiment than was p- viously posible. In these volumes, world-leading researchers describe recent developments in the density functional theory and its applications in modern inorganic and b- inorganic chemistry. These articles address key issues key issues in both sol- state and molecular inorganic chemistry, such as spectroscopy, mechanisms, catalysis, bonding and magnetism. The articles in volume I are more focussed on advances in density functional methodogy, while those in Volume II deal more with applications, although this is by no means a rigid distinction.
Author: Barbara Kirchner Publisher: Springer ISBN: 3662435829 Category : Science Languages : en Pages : 197
Book Description
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
Author: Richard Dronskowski Publisher: John Wiley & Sons ISBN: 3527325875 Category : Technology & Engineering Languages : en Pages : 3912
Book Description
This most comprehensive and unrivaled compendium in the field provides an up-to-date account of the chemistry of solids, nanoparticles and hybrid materials. Following a valuable introductory chapter reviewing important synthesis techniques, the handbook presents a series of contributions by about 150 international leading experts -- the "Who's Who" of solid state science. Clearly structured, in six volumes it collates the knowledge available on solid state chemistry, starting from the synthesis, and modern methods of structure determination. Understanding and measuring the physical properties of bulk solids and the theoretical basis of modern computational treatments of solids are given ample space, as are such modern trends as nanoparticles, surface properties and heterogeneous catalysis. Emphasis is placed throughout not only on the design and structure of solids but also on practical applications of these novel materials in real chemical situations.
Author: Dieter Sicker Publisher: John Wiley & Sons ISBN: 3527806512 Category : Science Languages : en Pages : 437
Book Description
Written by experienced authors, this book presents numerous natural everyday products with a high range of structural diversity. Twenty natural products have been arranged in five sections, describing three alkaloids, five colored compounds, three carbohydrates and glycosides, seven terpenoids, and two aromatic compounds. Adopting a highly didactical approach, each chapter features a uniform structure: Background, in-depth information about isolation processes and structural characterization as well as a Q&A section at the end. Alongside the theoretical information many practical hints for the laboratory work are also included. A comprehensive overview of UV-, IR- and NMR-spectroscopy as well as mass-spectrometry for every exemplified compound is provided and the understanding of these methods is supported by concluding questions and exercises. Educating and entertaining, this full-color textbook turns the learning process into a real pleasure, not only for students in natural products chemistry but also experienced professionals.
Author: Robin K. Harris Publisher: John Wiley & Sons ISBN: 1118587324 Category : Science Languages : en Pages : 523
Book Description
The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here
Author: G A Webb Publisher: Royal Society of Chemistry ISBN: 1847553869 Category : Science Languages : en Pages : 584
Book Description
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.
Author: Publisher: Academic Press ISBN: 0128028467 Category : Science Languages : en Pages : 722
Book Description
Electron Paramagnetic Resonance Investigations of Biological Systems by Using Spin Labels, Spin Probes, and Intrinsic Metal Ions Part A & B, are the latest volumes in the Methods in Enzymology series, continuing the legacy of this premier serial with quality chapters authored by leaders in the field. This volume covers research methods centered on the use of Electron Paramagnetic Resonance (EPR) techniques to study biological structure and function. - Timely contribution that describes a rapidly changing field - Leading researchers in the field - Broad coverage: Instrumentation, basic theory, data analysis, and applications
Author: Christoph A. Schalley Publisher: John Wiley & Sons ISBN: 352732982X Category : Science Languages : en Pages : 849
Book Description
The second edition of "Analytical Methods in Supramolecular Chemistry" comes in two volumes and covers a broad range of modern methods and techniques now used for investigating supramolecular systems, e. g. NMR spectroscopy, mass spectrometry, extraction methods, crystallography, single molecule spectroscopy, electrochemisty, and many more. In this second edition, tutorial inserts have been introduced, making the book also suitable as supplementary reading for courses on supramolecular chemistry. All chapters have been revised and updated and four new chapters have been added. A must-have handbook for Organic and Analytical Chemists, Spectroscopists, Materials Scientists, and Ph.D. Students in Chemistry. From reviews of the first edition: "This timely book should have its place in laboratories dealing with supramolecular objects. It will be a source of reference for graduate students and more experienced researchers and could induce new ideas on the use of techniques other than those usually used in the laboratory." Journal of the American Chemical Society (2008) VOL. 130, NO. 1 doi: 10.1021/ja0769649 "The book as a whole or single chapters will stimulate the reader to widen his horizon in chemistry and will help him to have new ideas in his research." Anal Bioanal Chem (2007) 389:2039-2040 DOI: 10.1007/s00216-007-1677-1
Author: Publisher: Academic Press ISBN: 0081028539 Category : Science Languages : en Pages : 154
Book Description
Annual Reports on NMR Spectroscopy, Volume 96, provides an in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications, including all branches of science in which precise structural determination is required, and in which the nature of interactions and reactions in solution is being studied. This book has established itself as a premier resource for both specialists and non-specialists, with this new release focusing on Recent Advances in Absolute Shielding Scales for NMR Spectroscopy, Applications of Hyperpolarus Long-Lived States in Drug Screening, and Characterization of Mixed Network Phosphate Classes by 1D and 2D NMR Techniques, amongst other topics. - Serves as the premier resource for learning the new techniques and applications of NMR spectroscopy - Provides a key reference for chemists and physicists using NMR spectroscopy to study the structure and dynamics of molecules - Covers all aspects of molecular science, including MRI (Magnetic Resonance Imaging)
Author: Martin Kaupp
Author: Martin Kaupp
Author: Nikolas Kaltsoyannis
Author: Barbara Kirchner
Author: Richard Dronskowski
Author: Dieter Sicker
Author: Robin K. Harris
Author: G A Webb
Author: 
Author: Christoph A. Schalley
Author: