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Accurate structure determination of free molecules / Jean Demaison, Natalja Vogt.
Author
Demaison, J. (Jean)
[Browse]
Format
Book
Language
English
Εdition
1st ed. 2020.
Published/Created
Cham, Switzerland : Springer, [2020]
©2020
Description
1 online resource (XVIII, 277 p. 42 illus., 24 illus. in color.)
Availability
Available Online
Springer Nature - Springer Chemistry and Materials Science eBooks 2020 English International
Details
Subject(s)
Molecular structure
[Browse]
Free molecules
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Spectrum analysis
[Browse]
Author
Vogt, N. (Natalja)
[Browse]
Series
Lecture notes in chemistry ; Volume 105.
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Summary note
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.
Source of description
Description based on print version record.
Contents
Introduction
Computational methods
Diatomic molecules
Rotation of the polyatomic molecule
The vibrations of polyatomic molecule
Equilibrium structures from spectroscopy
Molecular structures from gas-phase electron diffraction
Models of chemical bonding and "empirical" methods
Least-squares method
Databases with information on molecular structure.
Show 7 more Contents items
ISBN
3-030-60492-6
Doi
10.1007/978-3-030-60492-9
Statement on language in description
Princeton University Library aims to describe library materials in a manner that is respectful to the individuals and communities who create, use, and are represented in the collections we manage.
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