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The role of 2D/3D spin-polarization interactions in hybrid copper hydroxide acetate: new insights from first-principles molecular dynamics
The magnetic properties response of the layered hybrid material copper hydroxide acetate Cu(2)(OH)(3)CH(3)COO·H(2)O is studied as a function of the applied pressure within first-principles molecular dynamics. We are able to elucidate the interplay between the structural properties of this material a...
Autores principales: | Chaker, Ziyad, Ori, Guido, Boero, Mauro, Massobrio, Carlo |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Beilstein-Institut
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5405678/ https://www.ncbi.nlm.nih.gov/pubmed/28503395 http://dx.doi.org/10.3762/bjnano.8.86 |
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