Téléchargez le livre : Quantum Chemical Approach for Organic Ferromagnetic Material Design

Quantum Chemical Approach for Organic Ferromagnetic Material Design

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Paru le : 2016-12-20

This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors’ approach to identify simple and efficient...
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Description du livre



This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors’ approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.
This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.

À propos

Auteur
Yuriko Aoki , Akira Imamura , Yuuichi Orimoto
Éditeur
Springer
Collection
SpringerBriefs in Molecular Science
Parution
2016-12-20
Pages
138 pages
EAN papier
9783319498270

Caractéristiques détaillées - droits

EAN PDF
9783319498294
Prix
58,01 €
Nombre pages copiables
1
Nombre pages imprimables
13
Taille du fichier
6697 Ko
Ce livre est accessible aux handicaps informations d'accessibilité
EAN EPUB
9783319498294
Prix
58,01 €
Nombre pages copiables
1
Nombre pages imprimables
13
Taille du fichier
2499 Ko
Ce livre est accessible aux handicaps informations d'accessibilité

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