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Accurate structure determination of ...

Demaison, Jean.

Accurate structure determination of free molecules

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Accurate structure determination of free moleculesby Jean Demaison, Natalja Vogt.
作者:	Demaison, Jean.
其他作者:	Vogt, Natalja.
出版者:	Cham :Springer International Publishing :2020.
面頁冊數:	xviii, 277 p. :ill. (some col.), digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Molecular structure.
電子資源:	https://doi.org/10.1007/978-3-030-60492-9
ISBN:	9783030604929$q(electronic bk.)

Accurate structure determination of free molecules
Demaison, Jean.

Accurate structure determination of free molecules[electronic resource] /by Jean Demaison, Natalja Vogt. - Cham :Springer International Publishing :2020. - xviii, 277 p. :ill. (some col.), digital ;24 cm. - Lecture notes in chemistry,v.1050342-4901 ;. - Lecture notes in chemistry ;v.78..

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$q(electronic bk.)

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

194951
Molecular structure.

LC Class. No.: QD461

Dewey Class. No.: 541.22

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505 0 $a 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.
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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