Accurate Structure Determination Of Free Molecules
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Accurate Structure Determination Of Free Molecules
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Author : Jean Demaison
language : en
Publisher: Springer Nature
Release Date : 2020-12-02
Accurate Structure Determination Of Free Molecules written by Jean Demaison and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-02 with Science categories.
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.
Equilibrium Structure Of Free Molecules
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Author : Natalja Vogt
language : en
Publisher: Springer Nature
Release Date : 2023-12-06
Equilibrium Structure Of Free Molecules written by Natalja Vogt and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-06 with Science categories.
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.
Structure Data Of Free Polyatomic Molecules
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Author : Natalja Vogt
language : en
Publisher: Springer Nature
Release Date : 2020-01-02
Structure Data Of Free Polyatomic Molecules written by Natalja Vogt and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-02 with Science categories.
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
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Author : Aldo Domenicano
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Strength From Weakness Structural Consequences Of Weak Interactions In Molecules Supermolecules And Crystals written by Aldo Domenicano and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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.
Combustion Efficiency And Air Quality
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Author : Istvan Hargittai
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Combustion Efficiency And Air Quality written by Istvan Hargittai and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.
In this timely volume, scientists examine examine the physical, structural, and analytical chemistry of fuel combustion. Their contributions also address the issue of combustion efficiency and how air quality can be protected or improved. Supported by numerous illustrations, this volume be appreciated by researchers and students working in various areas of chemistry.
Nuclear Magnetic Resonance
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Author : G. A. Webb
language : en
Publisher: Royal Society of Chemistry
Release Date : 2005
Nuclear Magnetic Resonance written by G. A. Webb and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Medical categories.
For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.
Surface Structure Determination By Leed And X Rays
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Author : Wolfgang Moritz
language : en
Publisher: Cambridge University Press
Release Date : 2022-08-25
Surface Structure Determination By Leed And X Rays written by Wolfgang Moritz and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-08-25 with Science categories.
Discover exciting new developments and applications of LEED and X-ray diffraction, alongside detailed introductory material.
Electron Crystallography
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Author : Thomas E. Weirich
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-08-18
Electron Crystallography written by Thomas E. Weirich and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-08-18 with Science categories.
During the last decade we have been witness to several exciting achievements in electron crystallography. This includes structural and charge density studies on organic molecules complicated inorganic and metallic materials in the amorphous, nano-, meso- and quasi-crystalline state and also development of new software, tailor-made for the special needs of electron crystallography. Moreover, these developments have been accompanied by a now available new generation of computer controlled electron microscopes equipped with high-coherent field-emission sources, cryo-specimen holders, ultra-fast CCD cameras, imaging plates, energy filters and even correctors for electron optical distortions. Thus, a fast and semi-automatic data acquisition from small sample areas, similar to what we today know from imaging plates diffraction systems in X-ray crystallography, can be envisioned for the very near future. This progress clearly shows that the contribution of electron crystallography is quite unique, as it enables to reveal the intimate structure of samples with high accuracy but on much smaller samples than have ever been investigated by X-ray diffraction. As a tribute to these tremendous recent achievements, this NATO Advanced Study Institute was devoted to the novel approaches of electron crystallography for structure determination of nanosized materials.
Molecular Structure
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Author : Norman L. Allinger
language : en
Publisher: John Wiley & Sons
Release Date : 2010-12-15
Molecular Structure written by Norman L. Allinger and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-12-15 with Science categories.
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Stereochemical Applications Of Gas Phase Electron Diffraction Part A
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Author : Istv¿n Hargittai
language : en
Publisher: John Wiley & Sons
Release Date : 1988-10-01
Stereochemical Applications Of Gas Phase Electron Diffraction Part A written by Istv¿n Hargittai and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988-10-01 with Science categories.
- Die erste umfassende Darstellung der Elektronenbeugung in der Gasphase, einer sehr erfolgreichen Methode zur Bestimmung molekularer Geometrien. - Das Buch wendet sich in erster Linie an den Nicht-Fachmann. - Die 26 Beiträge stammen von Autoren aus neun Ländern, aus allen führenden auf diesem Gebiet arbeitenden Forschungslaboratorien. - Das Buch enthält einen einführenden Artikel von Herman Mark, dem Pionier der Gasphasenelektronenbeugung und ein Vorwort von Jerome Karle, dem Chemie-Nobelpreisträger von 1985. - Es wird nur zusammen in zwei Teilbänden abgegeben. Teil A beschreibt Entwicklung und derzeitige Möglichkeiten der Methode, darunter auch ihre Kombination mit anderen Verfahren. Teil B enthält Ergebnisse von Strukturbestimmungen für zahlreiche Verbindungsklassen. Er dient als umfassendes, zuverlässiges Nachschlagewerk und bringt gleichzeitig Trends und Interpretationen von Strukturvariationen.