GSM
Simulación de Materiales
Publicaciones (61) Publicaciones en las que ha participado algún/a investigador/a
2024
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Faraday rotation and transmittance as markers of topological phase transitions in 2D materials
SciPost Physics, Vol. 16, Núm. 3
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Manganese-rhodium nanoparticles: Adsorption on titanium oxide surfaces and catalyst for syngas reactions
Journal of Chemical Physics, Vol. 161, Núm. 2
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Mechanical Properties of Small Quasi-Square Graphene Nanoflakes
Crystals, Vol. 14, Núm. 4
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Quantum revivals in HgTe/CdTe quantum wells and topological phase transitions
SciPost Physics Core, Vol. 7, Núm. 2, pp. 1-18
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Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles
Surfaces and Interfaces, Vol. 46
2023
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Electric Field Effects on Curved Graphene Quantum Dots
Micromachines, Vol. 14, Núm. 11
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Gaussian Curvature Effects on Graphene Quantum Dots
Nanomaterials, Vol. 13, Núm. 1
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Graphene Formation through Spontaneous Exfoliation of Graphite by Chlorosulfonic Acid: A DFT Study
Micro, Vol. 3, Núm. 1, pp. 143-155
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Theoretical Insights into Flavonol Solubilization by Deep Eutectic Solvents
ACS Food Science and Technology, Vol. 3, Núm. 11, pp. 1931-1947
2022
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A theoretical study on CO2 at Li4SiO4 and Li3NaSiO4 surfaces
Physical Chemistry Chemical Physics, Vol. 24, Núm. 22, pp. 13678-13689
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Carbon nanomaterials with Thymol + Menthol Type V natural deep eutectic solvent: From surface properties to nano-Venturi effect through nanopores
Journal of Molecular Liquids, Vol. 368
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On the behavior of quercetin + organic solvent solutions and their role for C60 fullerene solubilization
Journal of Molecular Liquids, Vol. 345
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Quantum Revivals in Curved Graphene Nanoflakes
Nanomaterials, Vol. 12, Núm. 12
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Signatures of topological phase transitions in higher Landau levels of HgTe/CdTe quantum wells from an information theory perspective
Physica A: Statistical Mechanics and its Applications, Vol. 605
2021
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Additivation of MoS2 nanosheets to synthetic poly-alpha-olefins base oils: A theoretical study of nanolubrication
Journal of Molecular Liquids, Vol. 332, pp. 1-9
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Modelización de nanoestructuras bidimensionales
VII Jornadas de Doctorandos de la Universidad de Burgos [Recurso electrónico]
2020
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Densification and tribofilm formation in hydrocarbon nanofluids induced by MoS2 nanotubes
Journal of Molecular Liquids, Vol. 311
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Quasi-smectic liquid crystal phase of octane in contact with 2D MoS2
Applied Surface Science, Vol. 533
2018
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Fidelity as a marker of topological phase transitions in 2D Dirac materials
International Journal of Quantum Chemistry, Vol. 118, Núm. 17
2017
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Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence
Organic and Biomolecular Chemistry, Vol. 15, Núm. 36, pp. 7549-7557