ClO-driven degradation of graphene oxide: new insights from DFT calculations
Romo-Ávila, S. L, Márquez-Ruíz, D, Guirado-López, R. A
Published in Physical chemistry chemical physics : PCCP (03.01.2024)
Published in Physical chemistry chemical physics : PCCP (03.01.2024)
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Raman spectra of single walled carbon nanotubes at high temperatures: pretreating samples in a nitrogen atmosphere improves their thermal stability in air
Molina-Duarte, J, Espinosa-Vega, LI, Rodriguez, A G, Guirado-Lopez, R A
Published in Physical chemistry chemical physics : PCCP (08.03.2017)
Published in Physical chemistry chemical physics : PCCP (08.03.2017)
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Electronic Circular Dichroism of Fullerenols
Cornejo-Jacob, J, Vicente-Santiago, J, Guirado-López, R. A
Published in Journal of physical chemistry. C (02.04.2020)
Published in Journal of physical chemistry. C (02.04.2020)
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Myeloperoxidase-induced degradation of N-doped carbon nanotubes: Revealing possible atomistic mechanisms underlying hypochlorite-driven damage of nanotube walls
Azuara-Tuexi, G., Méndez-Cabañas, J.A., Muñoz-Sandoval, E., Guirado-López, R.A.
Published in Carbon (New York) (30.04.2021)
Published in Carbon (New York) (30.04.2021)
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Adsorption of Nitric Oxide on Small Rh n ± Clusters: Role of the Local Atomic Environment on the Dissociation of the N–O Bond
Romo-Ávila, S. L, Guirado-López, R. A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.01.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.01.2012)
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Orbital magnetism in transition-metal clusters: from Hund's rules to bulk quenching
Guirado-López, R A, Dorantes-Dávila, J, Pastor, G M
Published in Physical review letters (06.06.2003)
Published in Physical review letters (06.06.2003)
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Hydration behaviour of polyhydroxylated fullerenes
Rodríguez-Zavala, J G, Barajas-Barraza, R E, Padilla-Osuna, I, Guirado-López, R A
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.10.2011)
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.10.2011)
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Stability of Highly OH-Covered C60 Fullerenes: Role of Coadsorbed O Impurities and of the Charge State of the Cage in the Formation of Carbon-Opened Structures
Rodríguez-Zavala, J. G, Guirado-López, R. A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2006)
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Evaluating the impact of structural and rotational isomerization, as well as halogenation, on Y18 and Y18-ID small molecule acceptors: A DFT and TD-DFT study
Cisneros-García, Z.N., Guirado-López, R.A., Rodríguez-Zavala, J.G., Facio-Muñoz, J.G.
Published in Computational and theoretical chemistry (01.06.2024)
Published in Computational and theoretical chemistry (01.06.2024)
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