| Exploring the structure–solubility relationship of asphaltene models in toluene, heptane, and amphiphiles using a molecular dynamic atomistic methodology Y Aray, R Hernández-Bravo, JG Parra, J Rodríguez, DS Coll The Journal of Physical Chemistry A 115 (42), 11495-11507, 2011 | 66 | 2011 |
| Effect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations JG Parra, P Iza, H Dominguez, E Schott, X Zarate Colloids and Surfaces A: Physicochemical and Engineering Aspects 603, 125284, 2020 | 35 | 2020 |
| Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study JG Parra, H Domínguez, Y Aray, P Iza, X Zarate, E Schott Colloids and Surfaces A: Physicochemical and Engineering Aspects 578, 123615, 2019 | 20 | 2019 |
| Behavior of the SDS/1-butanol and SDS/2-butanol mixtures at the water/n-octane interface through molecular dynamics simulations JG Parra, YR Aray, P Iza, X Zarate, E Schott Chemical Physics 523, 138-149, 2019 | 20 | 2019 |
| Exploring the effect of the O-(1-heptylnonyl) benzene sulfonate surfactant on the nature of the linear hydrocarbons/water interface by means of an atomistic molecular dynamics … Y Aray, JG Parra, DM Jiménez, R Paredes, A Martiz, S Samaniego, ... Journal of Computational Methods in Sciences and Engineering 17 (1), 39-53, 2017 | 11 | 2017 |
| Experimental and theoretical study on the effectiveness of ionic liquids as corrosion inhibitors R Hernández-Bravo, AD Miranda, JG Parra, JM Alvarado-Orozco, ... Computational and Theoretical Chemistry 1210, 113640, 2022 | 9 | 2022 |
| Evaluation of the affinity of asphaltene molecular models A1 and A2 by the water/oil interfaces based on a novel concept of solubility parameter profiles obtained from MD … JG Parra, G Rodriguez, P Iza, X Zarate, E Schott Journal of Molecular Liquids 376, 121430, 2023 | 4 | 2023 |
| Computational study of one-step polar Diels–Alder reactions using the NEB method for the minimum energy paths search MA Díaz, JG Parra, DS Coll Molecular Simulation 43 (8), 644-655, 2017 | 4 | 2017 |
| Exploring the nature of the interactions between the molecules of the sodium dodecyl sulfate and water in crystal phases and in the water/vacuum interface Y Aray, JG Parra, R Paredes, LJ Álvarez, A Diaz-Barrios Heliyon 6 (6), 2020 | 3 | 2020 |
| Un procedimiento para la obtención de los espectros IR, Raman y RMN de compuestos orgánicos mediante cálculos mecánico-cuánticos con el software ORCA-5.0. 3 JG Parra, J González, E Perozo, P Iza Educación Química 34 (1), 20-59, 2023 | 2 | 2023 |
| Una guía para la estimación de la tensión interfacial y el espesor de la interface de un sistema agua/hidrocarburo usando el programa gromacs-4.5. 4 JG Parra Figueredo, P Iza, E Perozo Educación Química 32 (3), 80-94, 2021 | 2 | 2021 |
| Explorando el comportamiento de los alcoholes 1-butanol y 2-butanol ubicados en la región interfacial de los sistemas n-hexano/agua, ciclohexano/agua y tolueno/agua mediante … JG Parra, YR Aray Avances en Química 9 (3), 87-96, 2014 | 2 | 2014 |
| Predicción del volumen molar y la entalpía molar de vaporización de moléculas orgánicas usando variables determinadas mediante el modelo de apantallamiento tipo conductor (COSMO) JG Parra, YR Aray Avances en Química 6 (3), 79-88, 2011 | 2 | 2011 |
| Unveiling the hydrophilic nature of SDS surfactant through molecular simulations: Exploring the influence of charge distribution on interfacial properties in the vacuum/SDS … JG Parra, P Iza, H Dominguez, E Schott, X Zarate Journal of Molecular Liquids, 124692, 2024 | | 2024 |
| Elucidation of temperature-induced water structuring on cellulose surfaces for environmental and energy sustainability N Barrios, JG Parra, RA Venditti, L Pal Carbohydrate Polymers 329, 121799, 2024 | | 2024 |
| A Computational Chemistry Approach to the Molecular Design of SiO2 Nanoparticles Coated with Stearic Acid and Sodium Stearate in Ethanol Solvent. GL Galarza-Acosta, JG Parra, R Hernández-Bravo, P Iza, E Schott, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 679, 132527, 2023 | | 2023 |
| Computational study of the molecular interactions between thymol and the HIS41 and CYS145 residues present in the active site of the 3CLpro protease JG González A, P Iza, JG Parra Revista Colombiana de Química 52 (1), 42-48, 2023 | | 2023 |
| Estudio computacional de las interacciones moleculares entre el timol y los residuos HIS41 y CYS145 presentes en el sitio activo de la proteasa 3CLpro JG González, P Iza, JG Parra Revista Colombiana de Química 52 (1), 42-48, 2023 | | 2023 |
| Behavior of amoxicillin in water by means of implicit and explicit solvation methods MÁ Carrillo Hernández, WH Hirota, JG Parra Revista Colombiana de Química 51 (2), 25-34, 2022 | | 2022 |
| Comportamiento de la amoxicilina en agua mediante métodos de solvatación implícita y explícita MÁ Carrillo Hernández, WH Hirota, JG Parra Revista Colombiana de Química 51 (2), 25-34, 2022 | | 2022 |
Yosslen ArayUniversidad de Ciencias Aplicadas y Ambientales U.D.C.ADirección de correo verificada de udca.edu.co
