Departamento de Química Física
Fachbereich
Universidad de Málaga
Málaga, EspañaPublikationen in Zusammenarbeit mit Forschern von Universidad de Málaga (5)
2024
2019
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vdW-TSSCDS—An automated and global procedure for the computation of stationary points on intermolecular potential energy surfaces
International Journal of Quantum Chemistry, Vol. 119, Núm. 21
2018
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Breathing-Dependent Redox Activity in a Tetrathiafulvalene-Based Metal-Organic Framework
Journal of the American Chemical Society, Vol. 140, Núm. 33, pp. 10562-10569
2013
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Thermomagnetic molecular system based on TTF-PTM radical: Switching the spin and charge delocalization
Journal of Physical Chemistry Letters, Vol. 4, Núm. 16, pp. 2721-2726
1999
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Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures
Journal of Molecular Structure: THEOCHEM, Vol. 489, Núm. 2-3, pp. 255-262