Screen LibraryQuantum 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 H ckel to ab initio levels of theory. Most of the content describes the authors approach to identify simple and efficient...
Saved in:
| Main Authors: | |
|---|---|
| Corporate Authors: | |
| Group Author: | ; |
| Published: |
Springer International Publishing : Imprint: Springer,
|
| Publisher Address: | Cham : |
| Publication Dates: | 2017. |
| Literature type: | eBook |
| Language: | English |
| Series: |
SpringerBriefs in Molecular Science,
|
| Subjects: | |
| Online Access: |
http://dx.doi.org/10.1007/978-3-319-49829-4 |
| Summary: |
This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary H ckel 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 |
| Carrier Form: | 1 online resource (XVI, 138 pages) : illustrations. |
| ISBN: | 9783319498294 |
| Index Number: | QD450 |
| CLC: | O64 |