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Accurate Structure Determination of Free Molecules

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Accurate Structure Determination of Free Molecules/ by Jean Demaison, Natalja Vogt.
作者:	Demaison, Jean.
其他作者:	Vogt, Natalja.
面頁冊數:	XVIII, 277 p. 42 illus., 24 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Crystallography and Scattering Methods. -
電子資源:	https://doi.org/10.1007/978-3-030-60492-9
ISBN:	9783030604929

Accurate Structure Determination of Free Molecules
Demaison, Jean.

Accurate Structure Determination of Free Molecules[electronic resource] /by Jean Demaison, Natalja Vogt. - 1st ed. 2020. - XVIII, 277 p. 42 illus., 24 illus. in color.online resource. - Lecture Notes in Chemistry,1050342-4901 ;. - Lecture Notes in Chemistry,91.

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.

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.

ISBN: 9783030604929

Standard No.: 10.1007/978-3-030-60492-9doiSubjects--Topical Terms:

1142947
Crystallography and Scattering Methods.

LC Class. No.: QD95-96

Dewey Class. No.: 543.2-543.8

Accurate Structure Determination of Free Molecules
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520 $a 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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