Quantum Chemical Approach for Organic Ferromagnetic Material Design

Nonfiction, Science & Nature, Science, Physics, Magnetism, Chemistry, Physical & Theoretical
Cover of the book Quantum Chemical Approach for Organic Ferromagnetic Material Design by Yuriko Aoki, Yuuichi Orimoto, Akira Imamura, Springer International Publishing
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Author: Yuriko Aoki, Yuuichi Orimoto, Akira Imamura ISBN: 9783319498294
Publisher: Springer International Publishing Publication: December 20, 2016
Imprint: Springer Language: English
Author: Yuriko Aoki, Yuuichi Orimoto, Akira Imamura
ISBN: 9783319498294
Publisher: Springer International Publishing
Publication: December 20, 2016
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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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