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- Universidad del Rosario Faculty member
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Torres Arroba, Fernando Javier
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- Faculty member, Faculty of Natural Sciences , Universidad del Rosario
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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
- Comparative study of SARS-CoV-2 infection in different cell types 2022-3-1
- Dopamine Adsorption on Rutile TiO2(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles 2022-2-8
- A general justification for hybrid functionals in DFT by means of linear response theory 2022-2-10
- Propagation and Parametric Amplification in Four-Wave Mixing Processes 2022-2-1
- Removal of mercury(II) from aqueous solution by partially reduced graphene oxide 2022-12-1
- 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
- Na⋯B bond in NaBH 3 -: An induced spin-polarized bond 2021-10-27
- A theoretical and experimental study on the potential luminescent and biological activities of diaminodicyanoquinodimethane derivatives 2021-1-1
- 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
- Shannon Entropy and Fisher Information from a Non-Born-Oppenheimer Perspective 2020-1-16
- A valence bond perspective of the reaction force formalism 2020-1-1
- On the separation of the information content of the Fermi and Coulomb holes and their influence on the electronic properties of molecular systems 2019-3-4
- A valence bond study of the activation of methyl halides bonds by electric fields 2019-2-1
- Tensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other Methods 2019-12-1
- 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
- Is the Pauli exclusion principle the origin of electron localisation? 2018-3-19
- 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
- Stability of finite subspaces in density functional theory: Application to simple atoms 2017-8-15
- An alternative description of aromaticity in metallabenzenes 2017-4-1
- Understanding the role of Zn2+ in the hydrolysis of glycylserine: a mechanistic study by using density functional theory 2017-2-16
- Discovering key residues of dengue virus NS2b-NS3-protease: New binding sites for antiviral inhibitors design 2017-10-28
- On the activation of σ-bonds by electric fields: A Valence Bond perspective 2016-9-30
- The electron localization as the information content of the conditional pair density 2016-6-28
- Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms 2016-6-1
- Mean residence time by hierarchical clustering analysis 2016-4-1
- 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
- The information content of the conditional pair probability 2015-7-7
- 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
- Theoretical indications on the relationship between pyrogallol[4]arenes dynamics of assembling and geometry 2014-1-1
- Non-Born-Oppenheimer nuclear and electronic densities for a three-particle Hooke-Coulomb model 2013-8-5
- Ab initio study of the structural, electronic, and thermodynamic properties of linear perfluorooctane sulfonate (PFOS) and its branched isomers 2009-8-1
- Normal vibrational analysis of the syndiotactic polystyrene s(2/1)2 helix 2009-4-16
- Ab Initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 2008-6-1
- Hydrogen release from solid state NaBH4 2008-6-1
- Ab initio simulation of the IR spectra of pyrope, grossular, and andradite 2008-10-1
- A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code 2008-1-1
- Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain 2007-6-14
- Uniplanar orientations as a tool to assign vibrational modes of polymer chain 2007-5-29
- Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite 2007-2-8
- Thermodynamic and ab initio investigation of the Al-H-Mg system 2007-12-1
- Interaction of H2 with alkali-metal-exchanged zeolites: A quantum mechanical study 2007-1-1
- An ab initio periodic study of acidic chabazite as a candidate for dihydrogen storage 2006-6-1
- Ethanol adsorption on SrTiO3 surfaces 2006-6-1
- Vibrational spectrum of katoite Ca3Al2[(OH) 4]3: A periodic ab initio study 2006-1-19
- Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite 2006-1-1
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