Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Universidad de Mondragón/Mondragon Unibertsitatea
Mondragón, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Mondragón/Mondragon Unibertsitatea (6)
2024
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Prediction of long-term creep modulus of thermoplastics using brief tests and interpretable machine learning
International Journal of Solids and Structures, Vol. 304
2004
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Discordant results on the FeO+ + H2 reaction reconciled by quantum Monte Carlo theory
Molecular Physics, Vol. 102, Núm. 23-24, pp. 2635-2637
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Theoretical Study of Two-State Reactivity of Transition Metal Cations: The "Difficult" Case of Iron Ion Interacting with Water, Ammonia, and Methane
Journal of Physical Chemistry A, Vol. 108, Núm. 6, pp. 1069-1081
2003
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The electronic states of Fe2+
Chemical Physics Letters, Vol. 376, Núm. 3-4, pp. 310-317
2001
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Aluminum (III) interactions with sulfur-containing amino acid chains
Journal of Physical Chemistry A, Vol. 105, Núm. 31, pp. 7446-7453
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Electronic excitation energies of [Formula Presented] clusters
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 64, Núm. 1, pp. 7