publicaciones seleccionadas
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artículo académico
- Analysis of Ecuador's SCOPUS scientific production during the 2001-2020 period by means of standardized citation indicators 2022-4-1
- 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
- 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
- When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler? 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
- Stability of “no-pair ferromagnetic” lithium clusters 2019-11-14
- 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
- Higher-order and mixed discrete derivatives such as a novel graph-theoretical invariant for generating new molecular descriptors 2019-1-1
- 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
- Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms 2016-6-1
- On the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: a DFT study 2016-3-1
- Insights on the aromaticity of imidazolylidene carbenes by means of DFT calculations 2016-10-15
- Generalized molecular descriptors derived from event-based discrete derivative 2016-1-1
- Theoretical evaluation of metal-functionalized rccc R-pyrogallol[4]arenes as media for molecular hydrogen storage 2015-12-1
- A theoretical study of the conformational preference of alkyl-and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers 2014-3-16