Publicaciones en colaboración con investigadores/as de McMaster University (10)

2024

  1. Spin-Polarized Conceptual Density Functional Theory from the Convex Hull

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 11, pp. 4616-4628

2020

  1. A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels-Alder reactions

    Organic and Biomolecular Chemistry, Vol. 18, Núm. 2, pp. 292-304

  2. A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions

    RSC Advances, Vol. 10, Núm. 26, pp. 15394-15405

  3. Understanding the Origin of the Regioselectivity in Non-Polar [3+2] Cycloaddition Reactions through the Molecular Electron Density Theory

    Organics, Vol. 1, Núm. 1, pp. 19-35

  4. Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory

    Molecules (Basel, Switzerland), Vol. 25, Núm. 11

  5. Unveiling the Reactivity of Cyclic Azomethine Ylides in [3+2] Cycloaddition Reactions within the Molecular Electron Density Theory

    European Journal of Organic Chemistry, Vol. 2020, Núm. 37, pp. 5938-5948

  6. Unveiling the different chemical reactivity of diphenyl nitrilimine and phenyl nitrile oxide in [3+2] cycloaddition reactions with (R)-carvone through the molecular electron density theory

    Molecules, Vol. 25, Núm. 5

  7. Unveiling the high reactivity of benzyne in the formal [3+2] cycloaddition reactions towards thioamides through the Molecular Electron Density Theory

    Tetrahedron, Vol. 76, Núm. 39

2019

  1. A molecular electron density theory study of the synthesis of spirobipyrazolines through the domino reaction of nitrilimines with allenoates

    Molecules, Vol. 24, Núm. 22

  2. Understanding the Mechanism of Nitrobenzene Nitration with Nitronium Ion: A Molecular Electron Density Theory Study

    ChemistrySelect, Vol. 4, Núm. 45, pp. 13313-13319