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Solvation of para-hydroxybenzoic acid and its esters (methylparaben, propylparaben) in supercritical carbon dioxide. Computer simulation
Journal of Supercritical Fluids. 2017. Vol. 120. P. 59–64.
Odintsova E.
Keywords: Molecular dynamic simulations
Ahmad Ostovari Moghaddam, Fereidonnejad R., Mikhailov D. et al., Materials Letters 2024 Vol. 359 Article 135968
Interatomic potentials based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) have been developed for Al-Mn, Ti-Mn and Cu-Mn binary alloys. The potentials were utilized to determine structural, mechanical and thermodynamic properties of intermetallic phases, which were in good agreement with the experimental data or first-principles calculations. The potentials can be utilized to study different properties ...
Added: January 23, 2025
A. Ostovari Moghaddam, Fereidonnejad R., Mikhailov D. V. et al., Physical Mesomechanics 2024 Vol. 27 No. 4 P. 436–446
Deformation mechanisms of the Al3(TiTaZrNbHf) high entropy intermetallic compound under tensile loading were studied using molecular dynamic simulations. To this end, the site occupancy of the five constituent atoms that form the high entropy sublattice of Al3(TiTaZrNbHf) was first determined by simulating the near-equilibrium melting/crystallization process. It is shown that nuclei of intrinsic stacking faults ...
Added: January 12, 2025
Odintsova E., Journal of Supercritical Fluids 2017 Vol. 124 P. 50–56
Added: August 29, 2024
Odintsova E., Journal of Supercritical Fluids 2018 Vol. 139 P. 19–29
Added: August 29, 2024
Odintsova E., Journal of Supercritical Fluids 2020 Vol. 155 P. 104649–0
Added: August 29, 2024
Trosheva K. S., Sorokina S. A., А.А. Efimova et al., Biochimica et Biophysica Acta - Biomembranes 2021 Vol. 1863 No. 12 Article 183761
Dendrimers are individual macromolecular compounds having a great potential for biomedical application. The key step of the cell penetration by dendrimers is the interaction with lipid bilayer. Here, the interaction between cationic pyridylphenylene dendrimer of third generation (D350+) and multicomponent liquid (CL/POPC), solid (CL/DPPC) and cholesterol-containing (CL/POPC/30% Chol) anionic liposomes was investigated by dynamic light ...
Added: October 5, 2022