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Accurate structure determination of ...

Demaison, Jean.

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Accurate structure determination of free molecules

Record Type:	Electronic resources : Monograph/item
Title/Author:	Accurate structure determination of free molecules/ by Jean Demaison, Natalja Vogt.
Author:	Demaison, Jean.
other author:	Vogt, Natalja.
Published:	Cham :Springer International Publishing : : 2020.,
Description:	xviii, 277 p. :ill. (some col.), digital ;24 cm.
[NT 15003449]:	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.
Contained By:	Springer Nature eBook
Subject:	Molecular structure. -
Online resource:	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. - 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.105..

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:

592675
Molecular structure.

LC Class. No.: QD461

Dewey Class. No.: 541.22

Accurate structure determination of free molecules
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100 1 $a Demaison, Jean. $3 3528582
245 1 0 $a Accurate structure determination of free molecules $h [electronic resource] / $c by Jean Demaison, Natalja Vogt.
260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2020.
300 $a xviii, 277 p. : $b ill. (some col.), digital ; $c 24 cm.
490 1 $a Lecture notes in chemistry, $x 0342-4901 ; $v v.105
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.
650 0 $a Molecular structure. $3 592675
650 0 $a Spectrum analysis. $3 520440
650 0 $a Atomic structure. $3 578760
650 1 4 $a Spectroscopy/Spectrometry. $3 1084899
650 2 4 $a Atomic/Molecular Structure and Spectra. $3 1066408
650 2 4 $a Spectroscopy and Microscopy. $3 1066375
650 2 4 $a Crystallography and Scattering Methods. $3 3218070
700 1 $a Vogt, Natalja. $3 3454500
710 2 $a SpringerLink (Online service) $3 836513
773 0 $t Springer Nature eBook
830 0 $a Lecture notes in chemistry ; $v v.105. $3 3528583
856 4 0 $u https://doi.org/10.1007/978-3-030-60492-9
950 $a Chemistry and Materials Science (SpringerNature-11644)