selected publications
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academic article
- KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems 2024-8-1
- Exploring the bonding in alkaline earth halides AeXampersand-flag-changeminus; (Ae = Be-Ba, X = F-I) from Fermi hole localization and QTAIM perspectives 2024-1-1
- Revisiting the bonding of the pentagonal-pyramidal C6H62 and C6(CH3)62 dications 2023-11-22
- A Theoretical Study of the C-X Bond Cleavage Mediated by Cob(II)Aloxime 2023-10-26
- Analysis of Ecuador's SCOPUS scientific production during the 2001-2020 period by means of standardized citation indicators 2022-4-1
- A Theoretical Study of the C-X Bond Cleavage Mediated by Cob(II)Aloxime 2022-11-1
- A computational study of the reaction mechanism involved in the fast cleavage of an unconstrained amide bond assisted by an amine intramolecular nucleophilic attack 2021-5-5
- Na⋯B bond in NaBH 3 -: An induced spin-polarized bond 2021-10-27
- Theoretical description of R–X· · · NH3 halogen bond complexes: Effect of the R group on the complex stability and sigma-hole electron depletion 2020-1-25
- A valence bond perspective of the reaction force formalism 2020-1-1
- A valence bond study of the activation of methyl halides bonds by electric fields 2019-2-1