Multiphilic Descriptor for Chemical Reactivity and Selectivity
Padmanabhan, J., Parthasarathi, R., Elango, M., Subramanian, V., Krishnamoorthy, B. S., Gutierrez-Oliva, S., Toro-Labbé, A., Roy, D. R., Chattaraj, P. K.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.09.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.09.2007)
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Journal Article
Photoswitching/back-switching assessment of biobased cellulose acetate/azobenzene handleable films under visible-light LED irradiation
Gajardo, G., Córdoba, A., Forero, A., Fuentealba, D., Ramírez, O., Bonardd, S., Toro-Labbé, A., Leiva, A., Díaz, D. Díaz, Saldías, C.
Published in International journal of biological macromolecules (01.07.2023)
Published in International journal of biological macromolecules (01.07.2023)
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A new perspective on chemical and physical processes: the reaction force
Toro-Labbé, A., Gutiérrez-Oliva, S., Murray, J. S., Politzer, P.
Published in Molecular physics (10.10.2007)
Published in Molecular physics (10.10.2007)
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Journal Article
Solvent Effects on Electrophilicity
Pérez, Patricia, Toro-Labbé, Alejandro, Contreras, Renato
Published in Journal of the American Chemical Society (13.06.2001)
Published in Journal of the American Chemical Society (13.06.2001)
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Journal Article
Comparative study of the electrocatalytic activity of cobalt phthalocyanine and cobalt naphthalocyanine for the reduction of oxygen and the oxidation of hydrazine
Isaacs, M., Aguirre, M.J., Toro-Labbé, A., Costamagna, J., Páez, M., Zagal, J.H.
Published in Electrochimica acta (01.01.1998)
Published in Electrochimica acta (01.01.1998)
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Journal Article
Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures
Cortés-Arriagada, D., Toro-Labbe, A., Mora, J. R., Rincón, L., Mereau, R., Torres, F. J.
Published in Journal of molecular modeling (01.09.2017)
Published in Journal of molecular modeling (01.09.2017)
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Journal Article
Atomic decomposition of conceptual DFT descriptors: application to proton transfer reactions
Inostroza-Rivera, Ricardo, Yahia-Ouahmed, Meziane, Tognetti, Vincent, Joubert, Laurent, Herrera, Bárbara, Toro-Labbé, Alejandro
Published in Physical chemistry chemical physics : PCCP (21.07.2015)
Published in Physical chemistry chemical physics : PCCP (21.07.2015)
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Journal Article
QSAR model for ethylene polymerisation catalysed by supported bis(imino)pyridine iron complexes
Cruz, V.L., Martinez, J., Martinez-Salazar, J., Ramos, J., Reyes, M.L., Toro-Labbe, A., Gutierrez-Oliva, S.
Published in Polymer (Guilford) (13.12.2007)
Published in Polymer (Guilford) (13.12.2007)
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Ab initio study of cubyl chains and networks
Valencia, F, Romero, A H, Kiwi, Miguel, Ramirez, R, Toro-Labbe, A
Published in The Journal of chemical physics (08.11.2004)
Published in The Journal of chemical physics (08.11.2004)
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Journal Article
Density-functional theory (hyper)polarizabilities of push-pull pi-conjugated systems: treatment of exact exchange and role of correlation
Bulat, Felipe A, Toro-Labbé, Alejandro, Champagne, Benoît, Kirtman, Bernard, Yang, Weitao
Published in The Journal of chemical physics (01.07.2005)
Published in The Journal of chemical physics (01.07.2005)
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Journal Article
Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1−9)
POATER, Albert, DURAN, Miquel, JAQUE, Pablo, TORO-LABBé, Alejandro, SOLà, Miquel
Published in The journal of physical chemistry. B (06.04.2006)
Published in The journal of physical chemistry. B (06.04.2006)
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