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.
- ItemOn the Mechanisms of Chemical Reactions(2022) Gutierrez Oliva, Maria Soledad; Forero Giron, Angie Carolay; Villegas Escobar, N.; Toro Labbe, Alejandro Miguel
- ItemPerspectives on the Reaction Force(2012) Toro Labbe, Alejandro Miguel