Quantum Chemical Approach for Organic Ferromagnetic Material Design

• Main Authors: Aoki, Yuriko (Author), Orimoto, Yuuichi (Author), Imamura, Akira (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic 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.; Theoretical and Computational Chemistry.; Physical Chemistry.; Magnetism, Magnetic Materials.

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...