Titlebook: Computational Modelling of Molecular Nanomagnets; Gopalan Rajaraman Book 2023 The Editor(s) (if applicable) and The Author(s), under exclu

RALES

,Modeling Magnetic Properties of?Actinide Complexes,y related to their electronic structure, which is difficult to achieve since none of crystal-field effects, electron-electron repulsion nor spin-orbit interaction is predominant. The electronic structure should be analyzed within the intermediate coupling scheme, between on one hand the Russell-Saun

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,Spin-Phonon Relaxation in?Magnetic Molecules: Theory, Predictions and?Insights,cutting-edge scientific fields such as magnetic resonance, magnetism, spintronics, and quantum technologies. Crucially, a long spin lifetime well above cryogenic temperature is a stringent requirement for all these applications. In this chapter, we review the foundations of spin relaxation theory an

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arthroscopy

Molecular Magnets on Surfaces: In Silico Recipes for a Successful Marriage,ay well understand why you need to study surfaces and their interactions with molecular magnets (MMs). Indeed, the stairway to MM-based devices are made of several steps of which the adsorption on the surface (@surface) represents the first and crucial one. Ab initio characterization of molecular ma

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Theoretical Approaches for Electron Transport Through Magnetic Molecules, use of magnetic molecules as active components in these devices paves the way for the design of new spin-based devices, even controlling single spin centers. For instance, magnetic materials have been proposed as components to build spin valves in which the relative orientation of the magnetization