The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers
Pérez-Guardiola, A, Sandoval-Salinas, M E, Casanova, D, San-Fabián, E, Pérez-Jiménez, A J, Sancho-García, J C
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states
Sandoval-Salinas, M. E, Bernabeu-Cabañero, R, Pérez-Jiménez, A. J, San-Fabián, E, Sancho-García, J. C
Published in Physical chemistry chemical physics : PCCP (26.04.2023)
Published in Physical chemistry chemical physics : PCCP (26.04.2023)
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Correlation vs. exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons
Sandoval-Salinas, M E, Ricci, G, Pérez-Jiménez, A J, Casanova, D, Olivier, Y, Sancho-García, J C
Published in Physical chemistry chemical physics : PCCP (11.10.2023)
Published in Physical chemistry chemical physics : PCCP (11.10.2023)
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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
Sandoval-Salinas, M E, Brémond, E, Pérez-Jiménez, A J, Adamo, C, Sancho-García, J C
Published in The Journal of chemical physics (28.01.2023)
Published in The Journal of chemical physics (28.01.2023)
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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
Pérez-Guardiola, A, Ortiz-Cano, R, Sandoval-Salinas, M E, Fernández-Rossier, J, Casanova, D, Pérez-Jiménez, A J, Sancho-García, J C
Published in Physical chemistry chemical physics : PCCP (30.01.2019)
Published in Physical chemistry chemical physics : PCCP (30.01.2019)
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Serotonin uptake and release from rat cerebellum in vitro
Beas-Zarate, C, Sandoval, M E, Feria-Velasco, A
Published in Journal of neuroscience research (1984)
Published in Journal of neuroscience research (1984)
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Correlation exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons
Sandoval-Salinas, M. E, Ricci, G, Pérez-Jiménez, A. J, Casanova, D, Olivier, Y, Sancho-García, J. C
Published in Physical chemistry chemical physics : PCCP (11.10.2023)
Published in Physical chemistry chemical physics : PCCP (11.10.2023)
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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 oligomersElectronic supplementary information (ESI) available: (i) Fig. S1 showing the correlation between NFOD values obtained by FT-DFT and RAS-SF methods; (ii) Fig. S2 illustrating the resonance structures found for linear and cyclic acenes, with Clar's sextet ring indicated in blue; (iii) a discussion about the symmetrized von Neumann entropy, and its evoluti
Pérez-Guardiola, A, Sandoval-Salinas, M. E, Casanova, D, San-Fabián, E, Pérez-Jiménez, A. J, Sancho-García, J. C
Year of Publication 07.03.2018
Year of Publication 07.03.2018
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From cyclic nanorings to single-walled carbon nanotubes: disclosing the evolution of their electronic structure with the help of theoretical methodsElectronic supplementary information (ESI) available: The supporting information contains in this order: (i) a sketch showing the formation of zero-energy modes when even (left) and odd (right) symmetrical and equivalent parts of [n]CC are bound together; (ii) singlet-triplet energy gaps and NFOD of [12]CC with L = 1-6 computed at the RAS-SF/6-31G(d)
Pérez-Guardiola, A, Ortiz-Cano, R, Sandoval-Salinas, M. E, Fernández-Rossier, J, Casanova, D, Pérez-Jiménez, A. J, Sancho-García, J. C
Year of Publication 30.01.2019
Year of Publication 30.01.2019
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Disease causing mutation (P178L) in mitochondrial transcription factor A results in impaired mitochondrial transcription initiation
Mehmedović, Majda, Martucci, Martial, Spåhr, Henrik, Ishak, Layal, Mishra, Anup, Sanchez-Sandoval, Maria Eugenia, Pardo-Hernández, Carlos, Peter, Bradley, van den Wildenberg, Siet M., Falkenberg, Maria, Farge, Geraldine
Published in Biochimica et biophysica acta. Molecular basis of disease (01.10.2022)
Published in Biochimica et biophysica acta. Molecular basis of disease (01.10.2022)
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