Quantum Chemical Approach for Organic Ferromagnetic Material Design
Yuriko Aoki
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Description for Quantum Chemical Approach for Organic Ferromagnetic Material Design
Paperback. Series: SpringerBriefs in Molecular Science. Num Pages: 138 pages, 56 black & white illustrations, 8 colour illustrations, biography. BIC Classification: PHK; PNRP; TGM. Category: (P) Professional & Vocational. Dimension: 235 x 155 x 8. Weight in Grams: 250.
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 ... Read more
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 ... Read more
Product Details
Format
Paperback
Publication date
2017
Publisher
Springer International Publishing AG Switzerland
Number of pages
138
Condition
New
Series
SpringerBriefs in Molecular Science
Number of Pages
138
Place of Publication
Cham, Switzerland
ISBN
9783319498270
SKU
V9783319498270
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
About Yuriko Aoki
Yuriko Aoki is a Professor at the Department of Energy and Material Sciences, Kyushu University (Japan). She is also a guest professor at the South China Normal University, Guangzhou, China. Prof. Aoki published more than 140 scientific articles in peer-reviewed journals and contributed to several books. Her current research focuses on the application of highly accurate order-N computational method for ... Read more
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