First Principles Prediction Of Crystal Structures And The Electron Paramagnetic Resonance G Tensor PDF Download

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Physical Methods for Chemists

Physical Methods for Chemists
Author: Russell S. Drago
Publisher:
Total Pages: 750
Release: 1992
Genre: Chemistry, Physical and theoretical
ISBN: 9780030970375

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Biomolecular EPR Spectroscopy

Biomolecular EPR Spectroscopy
Author: Wilfred Raymond Hagen
Publisher: CRC Press
Total Pages: 264
Release: 2008-12-22
Genre: Medical
ISBN: 1420059580

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Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction t


Electron Paramagnetic Resonance Spectroscopy

Electron Paramagnetic Resonance Spectroscopy
Author: Patrick Bertrand
Publisher: Springer Nature
Total Pages: 420
Release: 2020-02-03
Genre: Science
ISBN: 3030396630

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Although originally invented and employed by physicists, electron paramagnetic resonance (EPR) spectroscopy has proven to be a very efficient technique for studying a wide range of phenomena in many fields, such as chemistry, biochemistry, geology, archaeology, medicine, biotechnology, and environmental sciences. Acknowledging that not all studies require the same level of understanding of this technique, this book thus provides a practical treatise clearly oriented toward applications, which should be useful to students and researchers of various levels and disciplines. In this book, the principles of continuous wave EPR spectroscopy are progressively, but rigorously, introduced, with emphasis on interpretation of the collected spectra. Each chapter is followed by a section highlighting important points for applications, together with exercises solved at the end of the book. A glossary defines the main terms used in the book, and particular topics, whose knowledge is not required for understanding the main text, are developed in appendices for more inquisitive readers.


Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy

Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy
Author: Sergei A. Dikanov
Publisher: CRC Press
Total Pages: 432
Release: 1992-07-27
Genre: Science
ISBN: 9780849342240

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The first volume devoted entirely to Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy This valuable book provides an introduction and broad survey of topics in ESEEM spectroscopy, including the theory, instrumentation, peculiarities of ESE experiments, and analysis of experimental data with particular emphasis on orientationally disordered systems. Applications of ESEEM spectroscopy to study chemically and biologically important paramagnetic centers in single crystals, amorphous solids, and powders are discussed as well. Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy will benefit specialists in magnetic resonance spectroscopy, physicists, chemists, and biologists who use magnetic resonance in their research.


Principles and Applications of ESR Spectroscopy

Principles and Applications of ESR Spectroscopy
Author: Anders Lund
Publisher: Springer Science & Business Media
Total Pages: 468
Release: 2011-01-04
Genre: Science
ISBN: 1402053444

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Principles and Applications of ESR Spectroscopy fills the gap between the detailed monographs in ESR spectroscopy and the general textbooks in molecular physics, physical chemistry, biochemistry or spectroscopy. The latter only briefly explain the underlying theory and do not provide details about applications, while the currently available ESR textbooks are primarily focused on the technique as such. This text is based upon the authors’ long experience of teaching the subject to a mixed audience, in the extreme case ranging from physics to biology. The potential of the method is illustrated with applications in fields such as molecular science, catalysis and environmental sciences, polymer and materials sciences, biochemistry and radiation chemistry/physics. Theoretical derivations have in general been omitted, as they have been presented repeatedly in previous works. The necessary theory is instead illustrated by practical examples from the literature.


Calculation of NMR and EPR Parameters

Calculation of NMR and EPR Parameters
Author: Martin Kaupp
Publisher: John Wiley & Sons
Total Pages: 621
Release: 2006-03-06
Genre: Science
ISBN: 3527604960

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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.


Quantitative EPR

Quantitative EPR
Author: Gareth R. Eaton
Publisher: Springer Science & Business Media
Total Pages: 192
Release: 2010-04-10
Genre: Science
ISBN: 3211929487

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There is a growing need in both industrial and academic research to obtain accurate quantitative results from continuous wave (CW) electron paramagnetic resonance (EPR) experiments. This book describes various sample-related, instrument-related and software-related aspects of obtaining quantitative results from EPR expe- ments. Some speci?c items to be discussed include: selection of a reference standard, resonator considerations (Q, B ,B ), power saturation, sample position- 1 m ing, and ?nally, the blending of all the factors together to provide a calculation model for obtaining an accurate spin concentration of a sample. This book might, at ?rst glance, appear to be a step back from some of the more advanced pulsed methods discussed in recent EPR texts, but actually quantitative “routine CW EPR” is a challenging technique, and requires a thorough understa- ing of the spectrometer and the spin system. Quantitation of CW EPR can be subdivided into two main categories: (1) intensity and (2) magnetic ?eld/mic- wave frequency measurement. Intensity is important for spin counting. Both re- tive intensity quantitation of EPR samples and their absolute spin concentration of samples are often of interest. This information is important for kinetics, mechanism elucidation, and commercial applications where EPR serves as a detection system for free radicals produced in an industrial process. It is also important for the study of magnetic properties. Magnetic ?eld/microwave frequency is important for g and nuclear hyper?ne coupling measurements that re?ect the electronic structure of the radicals or metal ions.


Rock-Forming Minerals: Orthosilicates, Volume 1A

Rock-Forming Minerals: Orthosilicates, Volume 1A
Author: William Alexander Deer
Publisher: Geological Society of London
Total Pages: 940
Release: 1982-12-01
Genre: Science
ISBN: 9781897799888

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A second edition, in two parts, of Volume 1 of this well-known reference series. This volume deals mainly with the olivine and garnet groups and also the humite group, zircon, sphene, vesuvianite, the Al2SiO5 (including mullite), topaz, staurolite and chloritoid. The disilicates and ring-silicates are covered in Volume 1B. In the years since the first edition was published, the quantity and scope of research on the olivines, garnets and the aluminosilicates has grown enormously and has given rise to a wide variety of literature. This book, which has been completely rewritten and considerably expanded, summarizes the important research results and presents them in an organized fashion. Each mineral chapter is divided into sections on structure, chemistry, optical and physical properties, distinguishing features and paragenesis. Each chapter is headed by a tabulation of mineral data and a sketch showing optical orientation, and concludes with full references to the literature. Diagrams of the crystal structures are presented and are followed by a discussion of the structural features. The chemical sections include a large number of analyses from which structural formulae have been calculated, illustrating the chemical and paragenetical variation exhibited by each mineral; phase equilibria in relevant systems are fully considered. In the sections on optical and physical properties, particular attention is paid to the correlation of these properties with chemical composition. The principal modes of occurrence are described and discussed in the paragenesis sections; here again correlation with chemistry is emphasized. 11 volumes are available in this series.