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Accurate Structure Determination of Free Molecules

Accurate Structure Determination of Free Molecules
Author: Jean Demaison
Publisher: Springer Nature
Total Pages: 291
Release: 2020-12-02
Genre: Science
ISBN: 3030604926

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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.


Beyond the Molecular Frontier

Beyond the Molecular Frontier
Author: National Research Council
Publisher: National Academies Press
Total Pages: 238
Release: 2003-03-19
Genre: Science
ISBN: 0309168392

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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.


Equilibrium Structure of Free Molecules

Equilibrium Structure of Free Molecules
Author: Natalja Vogt
Publisher: Springer Nature
Total Pages: 482
Release: 2023-12-06
Genre: Science
ISBN: 3031360451

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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.


Accurate Molecular Structures

Accurate Molecular Structures
Author: Professor of Structural Chemistry Aldo Domenicano
Publisher: Oxford University Press on Demand
Total Pages: 590
Release: 1992
Genre: Language Arts & Disciplines
ISBN: 9780198555568

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Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation ofthe physical meaning of the parameters. Here, internationally respected authors present all modern experimental and computational techniques for the determination of accurate molecular structures for the first time in one volume. They establish guidelines for accuracy requirements in answering broadly varying questions in currentchemical research.


Structure Data of Free Polyatomic Molecules

Structure Data of Free Polyatomic Molecules
Author: Natalja Vogt
Publisher: Springer Nature
Total Pages: 926
Release: 2020-01-02
Genre: Science
ISBN: 3030294307

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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.


Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals

Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals
Author: Aldo Domenicano
Publisher: Springer Science & Business Media
Total Pages: 419
Release: 2012-12-06
Genre: Science
ISBN: 940100546X

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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.


Equilibrium Structure of Free Molecules

Equilibrium Structure of Free Molecules
Author: Natalja Vogt
Publisher: Springer
Total Pages: 0
Release: 2023-09-06
Genre: Science
ISBN: 9783031360442

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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.


Nuclear Magnetic Resonance

Nuclear Magnetic Resonance
Author: G. A. Webb
Publisher: Royal Society of Chemistry
Total Pages: 620
Release: 2005
Genre: Medical
ISBN: 0854043527

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


Molecular Biology of The Cell

Molecular Biology of The Cell
Author: Bruce Alberts
Publisher:
Total Pages: 0
Release: 2002
Genre: Cytology
ISBN: 9780815332183

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Equilibrium Molecular Structures

Equilibrium Molecular Structures
Author: Jean Demaison
Publisher: CRC Press
Total Pages: 302
Release: 2016-04-19
Genre: Science
ISBN: 1439811350

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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