QUÍMICA TEÓRICA Y COMPUTACIONAL DE MATERIALES
QTCMAT
University of Lorraine
Nancy, FranciaPublicaciones en colaboración con investigadores/as de University of Lorraine (3)
2021
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Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3Perovskite
Journal of Physical Chemistry C, Vol. 125, Núm. 1, pp. 107-119
2020
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Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4by means of first-principles calculations
Physical Chemistry Chemical Physics, Vol. 22, Núm. 38, pp. 21909-21918
2017
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Advanced capabilities for materials modelling with Quantum ESPRESSO
Journal of Physics Condensed Matter, Vol. 29, Núm. 46