Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Universidad de Zaragoza
Zaragoza, EspañaPublikationen in Zusammenarbeit mit Forschern von Universidad de Zaragoza (7)
2024
2023
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Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies
Inorganic Chemistry, Vol. 62, Núm. 25, pp. 9792-9806
2022
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Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters
Journal of Physical Chemistry B, Vol. 126, Núm. 16, pp. 2959-2967
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Slow magnetic relaxation in Fe(ii) m-terphenyl complexes
Dalton Transactions, Vol. 51, Núm. 47, pp. 18118-18126
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Unparalleled selectivity and electronic structure of heterometallic [LnLn′Ln] molecules as 3-qubit quantum gates
Chemical Science
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Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929
2018
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Supramolecular-Enhanced Charge Transfer within Entangled Polyamide Chains as the Origin of the Universal Blue Fluorescence of Polymer Carbon Dots
Journal of the American Chemical Society, Vol. 140, Núm. 40, pp. 12862-12869