QUIMICA FISICA
Departamento
MARIA EUGENIA
SANDOVAL SALINAS
Investigadora en el periodo 2022-2023
Publicaciones en las que colabora con MARIA EUGENIA SANDOVAL SALINAS (5)
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
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Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states
Physical Chemistry Chemical Physics, Vol. 25, Núm. 16, pp. 11697-11706
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Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions
Journal of Chemical Physics, Vol. 158, Núm. 4
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
2018
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The role of topology in organic molecules: Origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers
Physical Chemistry Chemical Physics, Vol. 20, Núm. 10, pp. 7112-7124