Quantum Chemical Approach for Organic Ferromagnetic Material Design (Paperback, 1st ed. 2017)

This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Huckel 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.

General

Imprint:	Springer International Publishing AG
Country of origin:	Switzerland
Series:	SpringerBriefs in Molecular Science
Release date:	December 2016
First published:	2017
Authors:	Yuriko Aoki • Yuuichi Orimoto • Akira Imamura
Dimensions:	235 x 155 x 8mm (L x W x T)
Format:	Paperback
Pages:	138
Edition:	1st ed. 2017
ISBN-13:	978-3-319-49827-0
Categories:	Books > Science & Mathematics > Physics > Electricity, magnetism & electromagnetism Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry Books > Professional & Technical > Mechanical engineering & materials > Materials science > General Promotions
LSN:	3-319-49827-4
Barcode:	9783319498270

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