QUIMICA FISICA
Departamento
Donostia International Physics Center
San Sebastián, EspañaPublicaciones en colaboración con investigadores/as de Donostia International Physics Center (3)
2023
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Correlation vs. exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons
Physical Chemistry Chemical Physics, Vol. 25, Núm. 39, pp. 26417-26428
2020
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Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods
Journal of Physical Chemistry A, Vol. 124, Núm. 18, pp. 3590-3600
2019
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From cyclic nanorings to single-walled carbon nanotubes: Disclosing the evolution of their electronic structure with the help of theoretical methods
Physical Chemistry Chemical Physics, Vol. 21, Núm. 5, pp. 2547-2557