ENGLISH

Accurate Structure Determination of Free Molecules

By Jean Demaison , Natalja Vogt

Book information

Publisher
Springer International Publishing;Springer
Year
2020
ISBN
9783030604912, 9783030604929
DOI
10.1007/978-3-030-60492-9
Language
english
Format
PDF
Filesize
6 MB (5951498 bytes)
Series
Lecture Notes in Chemistry 105
Edition
1st ed.
Pages
XVIII, 277\291
Time added
2021-01-06 05:41:07
Chemistry; Spectroscopy/Spectrometry; Atomic/Molec

Description

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.

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