Publicacions en col·laboració amb investigadors/es de Universidad Andrés Bello (12)

2024

  1. A molecular electron density theory study of hydrogen bond catalysed polar Diels–Alder reactions of α,β-unsaturated carbonyl compounds

    Tetrahedron Chem, Vol. 10

  2. A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds

    Organic and Biomolecular Chemistry, Vol. 22, Núm. 36, pp. 7425-7437

2015

  1. A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions

    Tetrahedron, Vol. 71, Núm. 7, pp. 1050-1057

2014

  1. A DFT analysis of the participation of zwitterionic TACs in polar [3+2] cycloaddition reactions

    Tetrahedron, Vol. 70, Núm. 30, pp. 4519-4525

  2. The mechanism of ionic Diels-Alder reactions. A DFT study of the oxa-Povarov reaction

    RSC Advances, Vol. 4, Núm. 32, pp. 16567-16577

  3. Understanding the polar mechanism of the ene reaction. A DFT study

    Organic and Biomolecular Chemistry, Vol. 12, Núm. 38, pp. 7581-7590

2012

  1. Understanding the bond formation in hetero-diels-alder reactions. An ELF analysis of the reaction of nitroethylene with dimethylvinylamine

    Current Organic Chemistry, Vol. 16, Núm. 19, pp. 2343-2351

  2. Understanding the origin of the asynchronicity in bond-formation in polar cycloaddition reactions. A DFT study of the 1,3-dipolar cycloaddition reaction of carbonyl ylides with 1,2-benzoquinones

    RSC Advances, Vol. 2, Núm. 4, pp. 1334-1342

2004

  1. A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes

    Tetrahedron, Vol. 60, Núm. 50, pp. 11503-11509

2003

  1. Origin of the synchronicity on the transition structures of polar Diels-Alder reactions. Are these reactions [4 + 2] processes?

    Journal of Organic Chemistry, Vol. 68, Núm. 10, pp. 3884-3890

  2. Quantitative characterization of the global electrophilicity pattern of some reagents involved in 1,3-dipolar cycloaddition reactions

    Tetrahedron, Vol. 59, Núm. 17, pp. 3117-3125

2002

  1. Quantitative characterization of the local electrophilicity of organic molecules. Understanding the regioselectivity on Diels-Alder reactions

    Journal of Physical Chemistry A, Vol. 106, Núm. 29, pp. 6871-6875