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Ab initio investigations of the electronic structure and lithium stability in...
International audience -
Chemical bonding and magnetic trends within the iron-nitrogen system
International audience -
First principles investigations of the electronic structure and chemical bond...
International audience -
Electronic structure of a spin crossover molecular adsorbate
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Structural, electronic and magnetic properties of layered REB2C compounds (RE...
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An electronic model for self-assembled hybrid organic/perovskite semiconducto...
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Radical localization in a series of symmetric Ni<sup>II</sup> complexes with ...
Square-planar nickel(II) complexes of salen ligands,... -
4-Component relativistic magnetically induced current density using London at...
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Electronic structural trends in divalent carbon compounds
International audience -
Towards atomic resolution in sodium titanate nanotubes using near-edge X-ray-...
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Experimental and theoretical study of the structural and magnetic properties ...
The intermetallic based on rare earth and transition metal compounds present interesting magnetic properties for the technological applications (permanent magnets,... -
Mean-field models for disordered crystals
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Are unsaturated isocyanides so different from the corresponding nitriles?
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Effects of electron-phonon coupling and electron diffusion on ripples growth ...
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Magnetocaloric properties of Fe2−xTxP (T = Ru and Rh) from electronic structu...
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Optical Properties of α- Revealed by ab initio Calculations
International audience -
Ab initio investigation of the electronic structure of AgCl
The structural and electronic behavior of a prototype silver halide, namely AgCl, has been investigated by means of the full-potential linearized augmented plane wave... -
A review on silicene - New candidate for electronics
Silicene–the silicon-based counterpart of graphene–has a two dimensional structure that is responsible for the variety of potentially useful chemical and physical... -
Geometric and electronic structures of phenoxyl radicals hydrogen bonded to n...
Two di-<i>tert</i>-butylphenols incorporating an <i>N</i>-methylbenzimidazole moiety in the <i>ortho</i> or <i>para</i>...
