Computational Modelling of Molecular Nanomagnets
This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniques are gaining attention in molecular nanomagnets and are successfully used to solve several ou...
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| Format: | Elektronski eKnjiga |
| Jezik: | angleščina |
| Izdano: |
Cham :
Springer International Publishing : Imprint: Springer,
2023.
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| Izdaja: | 1st ed. 2023. |
| Serija: | Challenges and Advances in Computational Chemistry and Physics,
34 |
| Teme: | |
| Online dostop: | https://doi.org/10.1007/978-3-031-31038-6 |
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Kazalo:
- Ab initio investigation of anisotropic magnetism and magnetization blocking in metal complexes
- Analytical derivations for the description of magnetic anisotropy in transition metal complexes
- Calculations of Magnetic Exchange in Multinuclear Compounds
- Exact diagonalization techniques for quantum spin systems
- Modeling magnetic properties of actinide complexes
- Spin-Phonon Relaxation in Magnetic Molecules: Theory, Predictions and Insights
- Ab initio Modelling of Lanthanide Based Molecular Magnets: Where to from Here?
- Molecular Magnets on Surfaces: in silico recipes for a successful marriage
- Theoretical Approaches for Electron Transport through Magnetic Molecules.