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1.
Correlation vs. exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons.
Phys Chem Chem Phys
; 25(39): 26417-26428, 2023 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-37522306
2.
Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states.
Phys Chem Chem Phys
; 25(16): 11697-11706, 2023 Apr 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-37057462
3.
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions.
J Chem Phys
; 158(4): 044105, 2023 Jan 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-36725511
4.
From cyclic nanorings to single-walled carbon nanotubes: disclosing the evolution of their electronic structure with the help of theoretical methods.
Phys Chem Chem Phys
; 21(5): 2547-2557, 2019 Jan 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-30656301
5.
The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers.
Phys Chem Chem Phys
; 20(10): 7112-7124, 2018 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-29479605
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