selected publications
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academic article
- Propagation and Parametric Amplification in Four-Wave Mixing Processes 2022-2-1
- Unveiling the structure-reactivity relationship involved in the reaction mechanism of the HCl-catalyzed alkyl t-butyl ethers thermal decomposition. A computational study 2022-1-1
- Effect of the nucleophile’s nature on chloroacetanilide herbicides cleavage reaction mechanism. A dft study 2021-7-1
- 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
- Comparative study of the nucleophilic attack step in the proteases catalytic activity: A theoretical study 2020-7-17
- A topological study of the haxacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dications 2020-11-1
- 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
- A review on the information content of the pair density as a tool for the description of the electronic properties in molecular systems 2019-1-15
- Theoretical study of the furfuryl benzoate and furfuryl acetate pyrolysis 2019-1-1
- Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime 2018-11-1
- Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures 2017-9-1
- Understanding the role of Zn2+ in the hydrolysis of glycylserine: a mechanistic study by using density functional theory 2017-2-16
- On the activation of σ-bonds by electric fields: A Valence Bond perspective 2016-9-30