Browsing by Author "Toro Labbe, Alejandro Miguel"
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- ItemA theoretical analysis of the Hohn-Sham and Hartree-Fock orbitals and their use in the determination of electronic properties(2003) Toro Labbe, Alejandro Miguel
- ItemCCDC 1051038: Experimental Crystal Structure Determination(2015) Perez, Patricia; Yepes, Diana; Jaque, Pablo; Chamorro, Eduardo; Domingo, Luis R; Rojas, Rene S; Toro Labbe, Alejandro Miguel
- ItemCCDC 1051039: Experimental Crystal Structure Determination(2015) Perez, Patricia; Yepes, Diana; Jaque, Pablo; Chamorro, Eduardo; Domingo, Luis R; Rojas, Rene S; Toro Labbe, Alejandro Miguel
- ItemCCDC 1051040: Experimental Crystal Structure Determination(2015) Perez, Patricia; Yepes, Diana; Jaque, Pablo; Chamorro, Eduardo; Domingo, Luis R; Rojas, Rene S; Toro Labbe, Alejandro Miguel
- ItemChapter 7 Using the reactivity-selectivity descriptor Δ f(r) in organic chemistry(2007) Toro Labbe, Alejandro Miguel
- ItemElectronic stress as a guiding force for chemical bonding(2011) Toro Labbe, Alejandro Miguel
- ItemExtended hückel orbital forces and the jahn-teller distortions in molecules(1999) Toro Labbe, Alejandro Miguel
- ItemExtended Hückel orbital forces in molecules(1999) Toro Labbe, Alejandro Miguel
- ItemFirst-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene(2021) Cortés-Arriagada, D.; Miranda-Rojas, S.; Cid-Mora, F.; Toro Labbe, Alejandro Miguel
- ItemHardness profile and activation hardness for rotational isomerization processes. 1. Application to nitrous acid and hydrogen persulfide(1995) Cárdenas-Jirón, G.I.; Lahsen, J.; Toro Labbe, Alejandro Miguel
- ItemHigh-Level Coupled-Cluster Study on Substituent Effects in H2 Activation by Low-Valent Aluminyl Anions(2023) Villegas-Escobar, N.; Hoobler, P.R.; Toro Labbe, Alejandro Miguel; Schaefer, H.F.
- ItemHow Does Electronic Activity Drive Chemical Reactions? Insights from the Reaction Electronic Flux for the Conversion of Dopamine into Norepinephrine(2022) Forero-Girón, A.C.; Toro Labbe, Alejandro Miguel
- ItemInteracting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions(2021) Barrales-Martínez, C.; Gutiérrez-Oliva, S.; Toro Labbe, Alejandro Miguel; Pendás, Á.M.
- ItemIs hyper-hardness more chemically relevant than expected?(2013) Toro Labbe, Alejandro Miguel
- ItemMapping experimental and theoretical reactivity descriptors of fe macrocyclic complexes deposited on graphite or on multi walled carbon nanotubes for the oxidation of thiols: Thioglycolic acid oxidation(2021) Matute, R.A.; Toro Labbe, Alejandro Miguel; Oyarzún, M.P.; Ramirez, S.; Ortega, D.E.; Oyarce, K.; Silva, N.; Zagal, J.H.
- ItemModeling Interactions in Biomolecules IVToro Labbe, Alejandro Miguel
- ItemModeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanol(2013) Toro Labbe, Alejandro Miguel
- ItemNew guanidine-borane adducts: An experimental and theoretical approach(2021) Rojas, R.S.; Muñoz-Becerra, K.; Toro Labbe, Alejandro Miguel; Mesías-Salazar, A.; Martínez, I.; Antiñolo, A.; Carrillo-Hermosilla, F.; Fernández-Galán, R.; Ramos, A.; Daniliuc, C.G.
- ItemPerspectives on the Reaction Force(2012) Toro Labbe, Alejandro Miguel
- ItemPhotoswitching/back-switching assessment of biobased cellulose acetate/ azobenzene handleable films under visible-light LED irradiation(Wiley, 2023) Galvez Gajardo Gonzalo Hernan; Cordoba Manrique, Alexander; Forero Girón, Angie Carolay; Fuentealba Patino, Denis Alberto; Ramírez Contador, Oscar Guillermo; Bonardd, Sebastián; Toro Labbe, Alejandro Miguel; Leiva Campusano, Ángel Rodrigo; Díaz Díaz, David; Saldias Barros, Cesar AntonioThe light-induced processes performed by photofunctional polymer films are crucial aspects of developing in-tegrated energy storage devices properly. Herein, we report the preparation, characterization, and study of the optical properties of a series of biobased cellulose acetate/azobenzene (CA/Az1) handleable films at different compositions. The photoswitching/back-switching behavior of the samples was investigated using varied LED irradiation sources. Additionally, poly(ethylene glycol) (PEG) was deposited onto cellulose acetate/azobenzene films to study the back-switching process's effect and nature in the fabricated films. Interestingly, the melting enthalpies of PEG before and after being irradiated with blue LED light were 2.5 mJ and 0.8 mJ, respectively. Conveniently, FTIR and UV-visible spectroscopy, thermogravimetry (TGA), contact angle, differential scanning calorimetry (DSC), polarized light microscopy (PLM), and atomic force microscopy (AFM) were used for the characterization of the sample films. Complementarily, theoretical electronic calculations provided a consistent approach to the energetic change in the dihedral angles and non-covalent interaction for the trans and cis isomer in the presence of cellulose acetate monomer. The results of this study revealed that CA/Az1 films are viable photoactive materials displaying handleability attributes with potential uses in harvesting, converting, and storing light energy.