Accurate Structure Determination Of Free Molecules

Author : Jean Demaison,Natalja Vogt
Publisher : Springer Nature
Page : 291 pages
File Size : 40,5 Mb
Release : 2020-12-02
Category : Science
ISBN : 9783030604929

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Accurate Structure Determination of Free Molecules by Jean Demaison,Natalja Vogt Pdf

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.

Author : Natalja Vogt,Jean Demaison
Publisher : Springer Nature
Page : 482 pages
File Size : 47,6 Mb
Release : 2023-12-06
Category : Science
ISBN : 9783031360459

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Equilibrium Structure of Free Molecules by Natalja Vogt,Jean Demaison Pdf

The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.

Author : Jean Demaison,James E. Boggs,Attila G. Csaszar
Publisher : CRC Press
Page : 302 pages
File Size : 47,9 Mb
Release : 2016-04-19
Category : Science
ISBN : 9781439811351

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Equilibrium Molecular Structures by Jean Demaison,James E. Boggs,Attila G. Csaszar Pdf

Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these

Author : Aldo Domenicano,István Hargittai
Publisher : Unknown
Page : 0 pages
File Size : 40,6 Mb
Release : 1992
Category : Crystallography
ISBN : 1383028486

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Accurate Molecular Structures by Aldo Domenicano,István Hargittai Pdf

Author : Natalja Vogt,Jürgen Vogt
Publisher : Springer Nature
Page : 926 pages
File Size : 53,5 Mb
Release : 2020-01-02
Category : Science
ISBN : 9783030294304

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Structure Data of Free Polyatomic Molecules by Natalja Vogt,Jürgen Vogt Pdf

This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.

Author : Aldo Domenicano,Istvan Hargittai
Publisher : Springer Science & Business Media
Page : 419 pages
File Size : 41,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401005463

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Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals by Aldo Domenicano,Istvan Hargittai Pdf

The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules. These consequences impact the properties of the materials and the behaviour in interactions with other substances. The book presents modern experimental and computational techniques for the determination of molecular structure. It also highlights applications ranging from the simplest molecules to DNA and industrially significant materials. Readership: Graduate students and researchers in structural chemistry, computational chemistry, molecular spectroscopy, crystallography, supramolecular chemistry, solid state chemistry and physics, and materials science.

Author : G. A. Webb
Publisher : Royal Society of Chemistry
Page : 620 pages
File Size : 55,6 Mb
Release : 2005
Category : Medical
ISBN : 9780854043521

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Nuclear Magnetic Resonance by G. A. Webb Pdf

For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.

Author : Natalja Vogt,Jean Demaison
Publisher : Springer
Page : 0 pages
File Size : 48,9 Mb
Release : 2023-09-06
Category : Science
ISBN : 3031360443

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Equilibrium Structure of Free Molecules by Natalja Vogt,Jean Demaison Pdf

This book examines around 400 of the most striking examples of structural studies of free molecules—selected and analyzed by virtue of the unique molecular complexity and novelty of the experimental techniques used. The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, the determination of which is of fundamental interest. Featuring high-quality structural data determined using modern techniques in electron diffraction and high-resolution spectroscopy, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other relevant fields.

Author : National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges for the Chemical Sciences in the 21st Century
Publisher : National Academies Press
Page : 238 pages
File Size : 51,9 Mb
Release : 2003-03-19
Category : Science
ISBN : 9780309168397

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Beyond the Molecular Frontier by National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges for the Chemical Sciences in the 21st Century Pdf

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.

Author : Peter Jaffrey Wheatley
Publisher : Unknown
Page : 263 pages
File Size : 50,5 Mb
Release : 1962
Category : Molecules
ISBN : OCLC:271703439

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The Determination of Molecular Structure by Peter Jaffrey Wheatley Pdf

Author : Timir Tripathi,Vikash Kumar Dubey
Publisher : Academic Press
Page : 716 pages
File Size : 42,9 Mb
Release : 2022-01-14
Category : Science
ISBN : 9780323902656

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Advances in Protein Molecular and Structural Biology Methods by Timir Tripathi,Vikash Kumar Dubey Pdf

Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. Presents a thorough overview of the latest and emerging methods and technologies for protein study Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy Includes computational and machine learning methods Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins

Author : Anonim
Publisher : Elsevier
Page : 345 pages
File Size : 54,5 Mb
Release : 1997-03-08
Category : Science
ISBN : 0080545904

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Advances in Molecular Structure Research by Anonim Pdf

Advances in Molecular Structure Research

Author : Isabel Moraes
Publisher : Springer
Page : 184 pages
File Size : 48,5 Mb
Release : 2016-08-23
Category : Science
ISBN : 9783319350721

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The Next Generation in Membrane Protein Structure Determination by Isabel Moraes Pdf

This book reviews current techniques used in membrane protein structural biology, with a strong focus on practical issues. The study of membrane protein structures not only provides a basic understanding of life at the molecular level but also helps in the rational and targeted design of new drugs with reduced side effects. Today, about 60% of the commercially available drugs target membrane proteins and it is estimated that nearly 30% of proteins encoded in the human genome are membrane proteins. In recent years much effort has been put towards innovative developments to overcome the numerous obstacles associated with the structure determination of membrane proteins. This book reviews a variety of recent techniques that are essential to any modern researcher in the field of membrane protein structural biology. The topics that are discussed are not commonly found in textbooks. The scope of this book includes: Expression screening using fluorescent proteins The use of detergents in membrane protein research The use of NMR Synchrotron developments in membrane protein structural biology Visualisation and X-ray data collection of microcrystals X-ray diffraction data analysis from multiple crystals Serial millisecond crystallography Serial femtosecond crystallography Membrane protein structures in drug discovery The information provided in this book should be of interest to anyone working in the area of structural biology. Students will find carefully prepared overviews of basic ideas and advanced protein scientists will find the level of detail required to apply the material directly to their day to day work. Chapters 4, 5, 6, 8 and 9 of this book are published open access under a CC BY 4.0 license at link.springer.com.

Author : Robert Sague Carter,John Joseph Rush
Publisher : Unknown
Page : 584 pages
File Size : 48,7 Mb
Release : 1969
Category : Molecular dynamics
ISBN : UOM:39015095088046

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Molecular Dynamics and Structure of Solids by Robert Sague Carter,John Joseph Rush Pdf

Author : P. J. Wheatley
Publisher : Unknown
Page : 0 pages
File Size : 47,9 Mb
Release : 1965
Category : Molecular structure
ISBN : OCLC:38896027

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The Determination of Molecular Structure by P. J. Wheatley Pdf