Quantum Chemical Approach for Organic Ferromagnetic Material Design

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 effi...

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Bibliographic Details
Main Authors: Aoki, Yuriko. (Author), Orimoto, Yuuichi. (Author), Imamura, Akira. (Author)
Corporate Author: SpringerLink (Online service)
Format: eBook
Language: English
Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
Series: SpringerBriefs in Molecular Science,
Subjects:
Chemistry.
Physical chemistry.
Chemistry, Physical and theoretical.
Magnetism.
Magnetic materials.
elektronické knihy
electronic books
ISBN: 9783319498294
Physical Description: 1 online resource (XVI, 138 p. 64 illus., 8 illus. in color.)

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020 |a 9783319498294 
024 7 |a 10.1007/978-3-319-49829-4  |2 doi 
100 1 |a Aoki, Yuriko.  |e author. 
245 1 0 |a Quantum Chemical Approach for Organic Ferromagnetic Material Design /  |c by Yuriko Aoki, Yuuichi Orimoto, Akira Imamura. 
264 1 |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2017. 
300 |a 1 online resource (XVI, 138 p. 64 illus., 8 illus. in color.) 
336 |a text  |b txt  |2 rdacontent 
337 |a počítač  |b c  |2 rdamedia 
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520 |a 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. div>. 
650 0 |a Chemistry. 
650 0 |a Physical chemistry. 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Magnetism. 
650 0 |a Magnetic materials. 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 9 |a electronic books  |2 eczenas 
700 1 |a Orimoto, Yuuichi.  |e author. 
700 1 |a Imamura, Akira.  |e author. 
710 2 |a SpringerLink (Online service) 
776 0 8 |i Printed edition:  |z 9783319498270 
830 0 |a SpringerBriefs in Molecular Science,  |x 2191-5407 
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