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Quantum Chemical Approach for Organic Ferromagnetic Material Design

Af: Akira Imamura, Yuuichi Orimoto, Yuriko Aoki Engelsk Paperback

Quantum Chemical Approach for Organic Ferromagnetic Material Design

Af: Akira Imamura, Yuuichi Orimoto, Yuriko Aoki Engelsk Paperback
Tjek vores konkurrenters priser
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.
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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.
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Se mere i:
Produktdetaljer
Sprog: Engelsk
Sider: 138
ISBN-13: 9783319498270
Indbinding: Paperback
Udgave:
ISBN-10: 3319498274
Kategori: Kvantekemi og teoretisk kemi
Udg. Dato: 2 jan 2017
Længde: 0mm
Bredde: 155mm
Højde: 235mm
Forlag: Springer International Publishing AG
Oplagsdato: 2 jan 2017
Forfatter(e): Akira Imamura, Yuuichi Orimoto, Yuriko Aoki
Forfatter(e) Akira Imamura, Yuuichi Orimoto, Yuriko Aoki

Kategori Kvantekemi og teoretisk kemi

ISBN-13 9783319498270

Sprog Engelsk

Indbinding Paperback

Sider 138

Udgave

Længde 0mm

Bredde 155mm

Højde 235mm

Udg. Dato 2 jan 2017

Oplagsdato 2 jan 2017

Forlag Springer International Publishing AG