Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Universidad Autónoma de Madrid
Madrid, EspañaPublicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (9)
2024
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Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
The Journal of chemical physics, Vol. 160, Núm. 21
2019
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An Abl-FBP17 mechanosensing system couples local plasma membrane curvature and stress fiber remodeling during mechanoadaptation
Nature Communications, Vol. 10, Núm. 1
2017
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Simulations of water nano-confined between corrugated planes
Journal of Chemical Physics, Vol. 147, Núm. 19
2016
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Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission
Molecular Physics, Vol. 114, Núm. 24, pp. 3650-3657
2007
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The 5f3 manifold of the free-ion U3+: Ab initio calculations
Chemical Physics Letters, Vol. 434, Núm. 1-3, pp. 1-5
2005
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Bond lengths of 4f1 and 5d1 states of Ce3+ hexahalides
Journal of Solid State Chemistry
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Quantum chemical study of 4f→5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs 2 NaYCl 6. Ce 3+ to Tb 3+
Journal of Chemical Physics, Vol. 123, Núm. 24
2004
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A reinterpretation of the nature of the Fermi hole
Journal of Chemical Physics, Vol. 120, Núm. 2, pp. 540-547
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Bond lengths of 4F(1) and 5D(1) states of Ce3+ hexahailides.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY