QUÍMICA TEÓRICA Y COMPUTACIONAL DE MATERIALES
QTCMAT
Centre National de la Recherche Scientifique
París, FranciaPublicaciones en colaboración con investigadores/as de Centre National de la Recherche Scientifique (7)
2020
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Borates or phosphates? That is the question
Acta Crystallographica Section A: Foundations and Advances, Vol. 76, pp. 197-205
2017
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Advanced capabilities for materials modelling with Quantum ESPRESSO
Journal of Physics Condensed Matter, Vol. 29, Núm. 46
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Microscopic analysis of AgCl polymorphism
Theoretical Chemistry Accounts, Vol. 136, Núm. 6
2016
2015
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From ELF to compressibility in solids
International Journal of Molecular Sciences, Vol. 16, Núm. 4, pp. 8151-8167
2012
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Ionic interactions: Comparative topological approach
Computational and Theoretical Chemistry, Vol. 998, pp. 193-201
2009
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Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures
Solid State Ionics, Vol. 180, Núm. 14-16, pp. 1011-1016