Accurate Structure Determination of Free Molecules
Buch in deiner Nähe kaufen
Beschreibung
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.
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.
Covers both experimental and computational techniques Describes a variety of methods, their interplay and the advantages of their combined use Includes a broad overview of databases containing structural information Useful both for practitioners and as a true textbook that can be used by advanced students
Autor*in
Jean Demaison
Themen in »Accurate Structure Determination of Free Molecules«
Equilibrium Structure Molecular Structure Molecular Modelling Electron Diffraction Rotational Spectroscopy Structure of free molecules Determination of molecular structure X-Ray Structure