Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centro de investigación
Rutherford Appleton Laboratory
Didcot, Reino UnidoPublicaciones en colaboración con investigadores/as de Rutherford Appleton Laboratory (7)
2022
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Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning†
Digital Discovery, Vol. 1, Núm. 5, pp. 665-678
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Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266
2021
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Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study
Journal of Physical Chemistry Letters, Vol. 12, pp. 5163-5168
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Metastable Zr/Hf-MOFs: The hexagonal family of EHU-30 and their water-sorption induced structural transformation
Inorganic Chemistry Frontiers, Vol. 8, Núm. 22, pp. 4767-4779
2020
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Further Extending the Dilution Range of the "solvent-in-DES" Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities
ACS Sustainable Chemistry and Engineering, Vol. 8, Núm. 32, pp. 12120-12131
2019
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Looking at the "water-in-Deep-Eutectic-Solvent" System: A Dilution Range for High Performance Eutectics
ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 21, pp. 17565-17573
2004
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A molecular dynamics study on Rh3+ hydration: Development and application of a first principles hydrated ion-water interaction potential
Theoretical Chemistry Accounts, Vol. 111, Núm. 2-6, pp. 101-109