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Challenges In Molecular Structure Determination
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Author :Manfred Reichenbächer Publisher :Springer Science & Business Media ISBN 13 :3642243894 Total Pages :500 pages Book Rating :4.6/5 (422 download)
Book Synopsis Challenges in Molecular Structure Determination by : Manfred Reichenbächer
Download or read book Challenges in Molecular Structure Determination written by Manfred Reichenbächer and published by Springer Science & Business Media. This book was released on 2012-03-23 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.
Author :Manfred Reichenbächer Publisher :Springer Science & Business Media ISBN 13 :3642243908 Total Pages :500 pages Book Rating :4.6/5 (422 download)
Book Synopsis Challenges in Molecular Structure Determination by : Manfred Reichenbächer
Download or read book Challenges in Molecular Structure Determination written by Manfred Reichenbächer and published by Springer Science & Business Media. This book was released on 2012-03-22 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Structure Elucidation in Organic Chemistry by : Maria-Magdalena Cid
Download or read book Structure Elucidation in Organic Chemistry written by Maria-Magdalena Cid and published by John Wiley & Sons. This book was released on 2014-12-17 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.
Book Synopsis Problems in Organic Structure Determination by : Roger G. Linington
Download or read book Problems in Organic Structure Determination written by Roger G. Linington and published by CRC Press. This book was released on 2015-11-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: At a point where most introductory organic chemistry texts end, this workbook picks up the thread to lead students from basic problems to a graduated set of 120 highly complex problems. The art of organic structure determination can only be mastered through practice exercises displayed in this book. With minimal theoretical content, the workbook contains a sufficient quantity and variety of problems, developed by authors renowned in their fields, so that students will become truly proficient in organic structure determination.
Book Synopsis Foundations of Molecular Structure Determination by : Simon Duckett
Download or read book Foundations of Molecular Structure Determination written by Simon Duckett and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Foundations of molecular structure determination gives a broad introduction to a range of common spectroscopic and diffraction methods, with frequent worked examples and problem questions provided to assist beginning undergraduates in developing their structure analysis skills.
Book Synopsis Problems in Organic Structure Determination by : Roger G. Linington
Download or read book Problems in Organic Structure Determination written by Roger G. Linington and published by CRC Press. This book was released on 2015-10-14 with total page 755 pages. Available in PDF, EPUB and Kindle. Book excerpt: At a point where most introductory organic chemistry texts end, this problems-based workbook picks up the thread to lead students through a graduated set of 120 problems. With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. This workbook leads you from basic problems encountered in introductory organic chemistry textbooks to highly complex natural product-based problems. It presents a concept-based learning platform, introducing key concepts sequentially and reinforcing them with problems that exemplify the complexities and underlying principles that govern each concept. The book is organized in such a way that allows you to work through the problems in order or in selections according to your experience and desired area of mastery. It also provides access to raw data files online that can be downloaded and used for data manipulation using freeware or commercial software. With its problem-centered approach, integrated use of online and digital resources, and appendices that include notes and hints, Problems in Organic Structure Determination: A Practical Approach to NMR Spectroscopy is an outstanding resource for training students and professionals in structure determination.
Book Synopsis Protein Crystallography by : Gwyndaf Evans
Download or read book Protein Crystallography written by Gwyndaf Evans and published by Royal Society of Chemistry. This book was released on 2018-06-21 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein crystallography has become vital to further understanding the structure and function of many complex biological systems. In recent years, structure determination has progressed tremendously however the quality of crystals and data sets can prevent the best results from being obtained. With contributions from world leading researchers whose software are used worldwide, this book provides a coherent approach on how to handle difficult crystallographic data and how to assess its quality. The chapters will cover all key aspects of protein crystallography, from instrumentation and data processing through to model building. This book also addresses challenges that protein crystallographers will face such as dealing with data from microcrystals and multi protein complexes. This book is ideal for both academics and researchers in industry looking for a comprehensive guide to protein crystallography.
Book Synopsis Accurate Structure Determination of Free Molecules by : Jean Demaison
Download or read book Accurate Structure Determination of Free Molecules written by Jean Demaison and published by Springer. This book was released on 2021-12-04 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine – to a great degree of accuracy – the relevant molecular structure.
Book Synopsis 21st Century Challenges in Chemical Crystallography I by : D. Michael P. Mingos
Download or read book 21st Century Challenges in Chemical Crystallography I written by D. Michael P. Mingos and published by Springer Nature. This book was released on 2021-01-20 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding. The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
Book Synopsis Visualizing Chemistry by : National Research Council
Download or read book Visualizing Chemistry written by National Research Council and published by National Academies Press. This book was released on 2006-06-01 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scientists and engineers have long relied on the power of imaging techniques to help see objects invisible to the naked eye, and thus, to advance scientific knowledge. These experts are constantly pushing the limits of technology in pursuit of chemical imagingâ€"the ability to visualize molecular structures and chemical composition in time and space as actual events unfoldâ€"from the smallest dimension of a biological system to the widest expanse of a distant galaxy. Chemical imaging has a variety of applications for almost every facet of our daily lives, ranging from medical diagnosis and treatment to the study and design of material properties in new products. In addition to highlighting advances in chemical imaging that could have the greatest impact on critical problems in science and technology, Visualizing Chemistry reviews the current state of chemical imaging technology, identifies promising future developments and their applications, and suggests a research and educational agenda to enable breakthrough improvements.
Book Synopsis Structural Methods in Molecular Inorganic Chemistry by : D. W. H. Rankin
Download or read book Structural Methods in Molecular Inorganic Chemistry written by D. W. H. Rankin and published by John Wiley & Sons. This book was released on 2013-04-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail: • computational chemistry • nuclear magnetic resonance spectroscopy • electron paramagnetic resonance spectroscopy • Mössbauer spectroscopy • rotational spectra and rotational structure • vibrational spectroscopy • electronic characterization techniques • diffraction methods • mass spectrometry The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems. Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material. Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.
Book Synopsis Structure and Biophysics - New Technologies for Current Challenges in Biology and Beyond by : Joseph D. Puglisi
Download or read book Structure and Biophysics - New Technologies for Current Challenges in Biology and Beyond written by Joseph D. Puglisi and published by Springer Science & Business Media. This book was released on 2007-03-21 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a collection of articles from the proceedings of the ISSBMR 7th Course: Structure and Biophysics - New Technologies for Current Challenges in Biology and Beyond. This NATO Advanced Institute (ASI) was held in Erice at the Ettore Majorana Foundation and Centre for Scientific Culture in June 2005. It presents state of the art information on NMR spectroscopy and its place in the broader field of biophysics.
Book Synopsis Computer–Based Structure Elucidation from Spectral Data by : Mikhail E. Elyashberg
Download or read book Computer–Based Structure Elucidation from Spectral Data written by Mikhail E. Elyashberg and published by Springer. This book was released on 2015-02-27 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.
Book Synopsis Solving Problems with NMR Spectroscopy by : Atta-ur Rahman
Download or read book Solving Problems with NMR Spectroscopy written by Atta-ur Rahman and published by Academic Press. This book was released on 2015-08-18 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solving Problems with NMR Spectroscopy, Second Edition, is a fully updated and revised version of the best-selling book. This new edition still clearly presents the basic principles and applications of NMR spectroscopy with only as much math as is necessary. It shows how to solve chemical structures with NMR by giving many new, clear examples for readers to understand and try, with new solutions provided in the text. It also explains new developments and concepts in NMR spectroscopy, including sensitivity problems (hardware and software solutions) and an extension of the multidimensional coverage to 3D NMR. The book also includes a series of applications showing how NMR is used in real life to solve advanced problems beyond simple small-molecule chemical analysis. This new text enables organic chemistry students to choose the most appropriate NMR techniques to solve specific structures. The problems provided by the authors help readers understand the discussion more clearly and the solution and interpretation of spectra help readers become proficient in the application of important, modern 1D, 2D, and 3D NMR techniques to structural studies. Explains and presents the most important NMR techniques used for structural determinations Offers a unique problem-solving approach for readers to understand how to solve structure problems Uses questions and problems, including discussions of their solutions and interpretations, to help readers understand the fundamentals and applications of NMR Avoids use of extensive mathematical formulas and clearly explains how to implement NMR structure analysis Foreword by Nobel Prize winner Richard R. Ernst New to This Edition Key developments in the field of NMR spectroscopy since the First Edition in 1996 New chapter on sensitivity enhancement, a key driver of development in NMR spectroscopy New concepts such as Pulse Field Gradients, shaped pulses, and DOSY (Diffusion Order Spectroscopy) in relevant chapters More emphasis on practical aspects of NMR spectroscopy, such as the use of Shigemi tubes and various types of cryogenic probes Over 100 new problems and questions addressing the key concepts in NMR spectroscopy Improved figures and diagrams More than 180 example problems to solve, with detailed solutions provided at the end of each chapter
Book Synopsis Solving a 3D Structural Puzzle by : Casper Rønn Hoeck
Download or read book Solving a 3D Structural Puzzle written by Casper Rønn Hoeck and published by Springer. This book was released on 2018-11-03 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores how nuclear magnetic resonance (NMR) spectroscopy may be used for spatial structural elucidation of novel compounds from fungal and synthetic sources. Readers will discover the exciting world of NOE (nuclear Overhauser effect), RDC (residual dipolar coupling) and J-coupling constants, both short- and long range. With emphasis on obtaining structural knowledge from these NMR observables, focus is moved from solving a static 3D structure to solving the structural space inhabited by small organic molecules. The book outlines the development and implementation of two Heteronuclear Multiple Bond Correlation-type NMR experiments, and the 3D structural elucidation of multiple known and novel compounds. In addition, a new method of back-calculating RDCs (allowing for more flexible structures to be investigated), and the synthesis and evaluation of novel chiral alignment media for ab initio determination of absolute stereochemistry of small molecules using RDCs are also included. Challenges that 3D structural generation of small compounds face are also covered in this work.
Book Synopsis Structure Determination from Powder Diffraction Data by : William I. F. David
Download or read book Structure Determination from Powder Diffraction Data written by William I. F. David and published by OUP Oxford. This book was released on 2002 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
