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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Quantum Chemical Approach for Organic Ferromagnetic Material Design

Quantum Chemical Approach for Organic Ferromagnetic Material Design

Aoki, Yuriko
Orimoto, Yuuichi
Imamura, Akira

Paperback

ChemistryPhysics

ISBN10: 3319498274
ISBN13: 9783319498270
Publisher: Springer
Published: Jan 2 2017
Pages: 138
Weight: 0.50
Height: 0.33 Width: 6.14 Depth: 9.21
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.

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