Foundations of Molecular Structure Determination

Foundations of Molecular Structure Determination

Author: Simon Duckett

Publisher: Oxford University Press, USA

Published: 2015

Total Pages: 175

ISBN-13: 019968944X

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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.


Foundations of Molecular Structure Determination

Foundations of Molecular Structure Determination

Author: Simon Duckett

Publisher:

Published: 2023

Total Pages: 0

ISBN-13: 9780191992490

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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.


Accurate Structure Determination of Free Molecules

Accurate Structure Determination of Free Molecules

Author: Jean Demaison

Publisher: Springer Nature

Published: 2020-12-02

Total Pages: 291

ISBN-13: 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.


Fundamentals of Molecular Structural Biology

Fundamentals of Molecular Structural Biology

Author: Subrata Pal

Publisher: Academic Press

Published: 2019-08-15

Total Pages: 518

ISBN-13: 0128148551

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Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental concepts, it then describes molecular structure and explains basic genetic mechanisms. Given the increasingly interdisciplinary nature of research, early career researchers and those shifting into an adjacent field often require a "fundamentals" book to get them up-to-speed on the foundations of a particular field. This book fills that niche.


Foundations of Spectroscopy

Foundations of Spectroscopy

Author: Simon Duckett

Publisher: Oxford University Press, USA

Published: 2000

Total Pages: 90

ISBN-13: 9780198503354

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'I congratulate the authors for encompassing the four main branches of spectroscopy favoured by organic chemists in just 75 pages... At £6.99, this might become the compulsory text for my spectroscopic modules. If it does, all my carefully crafted hand-outs, all my well-honed problems and examples may have to go in the bin. Buy it!' Alan Dronsfield in Education in Chemistry, Sep. 2001This Primer covers the foundations of spectroscopy at a level suitable for first year chemistry undergraduates. Mass spectrometry and X-ray diffraction, along with traditional spectroscopic techniques : i.r., n.m.r., and u.v. -visible spectroscopy are covered. The essential physical principles of each method are introduced, many examples of spectral analysis are provided, and some problems; further reading and practice is strongly encouraged.


Tables of Spectral Data for Structure Determination of Organic Compounds

Tables of Spectral Data for Structure Determination of Organic Compounds

Author: Ernö Pretsch

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 325

ISBN-13: 3662224550

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Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.


Computational Methods for Molecular Structure Determination

Computational Methods for Molecular Structure Determination

Author:

Publisher:

Published: 1979

Total Pages:

ISBN-13:

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Goal of this workshop was to provide an introduction to the use of state-of-the-art computer codes for the semi-empirical and ab initio computation of the electronic structure and geometry of small and large molecules. The workshop consisted of 15 lectures on the theoretical foundations of the codes, followed by laboratory sessions which utilized these codes.


Foundations of Structural Biology

Foundations of Structural Biology

Author: Leonard J. Banaszak

Publisher: Elsevier

Published: 2000-02-08

Total Pages: 180

ISBN-13: 0080521843

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Imagine trying to understand an engine without visualizing its moving parts. Biological processes involve far more complex chemical reactions and components than any engine. Furthermore, the parts work together to do many more functions than an engine which sole task is to turn a shaft. Understanding the implications of the three-dimensional coordinates for a molecule with several thousand atoms requires an understanding of, and practice with, 3D imaging. For many biologists, this means acquiring a whole new set of skills. Foundations of Structural Biology is aimed at helping the reader develop visualization skills for protein or DNA segments, while also describing the fundamental principles underlying the organization and interaction between these complex molecules.Key Features* Explains how to use coordinate databases and atomic coordinates of biological macromolecules* Teaches the skills of stereoviewing* Contains computer-generated stereographics* Describes the principles of symmetry and handedness in proteins and DNA* Introduces metal and lipid binding proteins and DNA-protein interactions* Explains the principles involved in understanding secondary and quaternary structure * Includes coverage of protein-metal, protein-nucleic acid, and protein-lipid interactions


Equilibrium Molecular Structures

Equilibrium Molecular Structures

Author: Jean Demaison

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 302

ISBN-13: 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