Title: The study of structure and interactions of glucose-based natural deep eutectic solvents by molecular dynamics simulation. Journal of Molecular Liquids, 334, 115956.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.
Year: 2021
Title: Structure and dynamics of thymol-fatty acids based deep eutectic solvent investigated by molecular dynamics simulation. Fluid Phase Equilibria, 552, 113241.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.
Year: 2022
Title: Using Molecular Dynamics Simulations to Understand the Effect of Fatty Acids Chain Length on Structural and Dynamic Properties of Deep Eutectic Solvents Based on Choline Chloride and Fatty Acids. ChemistrySelect, 47.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.; Avestan, M.S.
Year: 2022
Title: Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes. Scientific Reports.
Authors: Nemati-Kande, E.; Pourasadi, A.; Aghababaei, F.; Baranipour, S.; Mehdizadeh, A.; Jahanbin Sardroodi, J.
Year: 2022
Title: Structural and Dynamic Properties of Hydrophobic Eutectic Solvents Based on Menthol and Fatty Acids: a Molecular Dynamics Simulation Study. Scientific Reports.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.; Avestan, M.S.
Year: 2022
Title: Structure and dynamics of hydrophobic deep eutectic solvents composed from terpene-fatty acids investigated by molecular dynamics simulation. Journal of Molecular Graphics, 108180.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.; Avestan, M.S.
Year: 2022
Title: A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes. Journal of Physical and Theoretical Chemistry of Islamic Azad University of Iran, 14(3), 211-228.
Authors: Rezaei-Sameti, M.; Baranipour, S.
Year: 2017
Title: Investigation of the effect of water addition on intermolecular interactions of fatty acids-based deep eutectic solvents by molecular dynamics simulations. Scientific Reports.
Authors: Barani Pour, S.; Jahanbin Sardroodi, J.; Rastkar Ebrahimzadeh, A.
Title: NO, N₂ interaction with pristine and Si-Doped carbon Nanoplat: Nuclear quadruple resonance study. Presented at the 23rd Iranian Seminar of Organic Chemistry, University of Kurdistan, Iran.
Authors: Rezaei-Sameti, M.; Baranipour, S.
Year: 2015
Title: Adsorption of CO gas on the surface of Bas doped (8,0) zigzag ALNNTS: NMR study. Presented at the 23rd Iranian Seminar of Organic Chemistry, University of Kurdistan, Iran.
Authors: Rezaei-Sameti, M.; Samadi Jamil, E.; Baranipour, S.
Year: 2015
Title: The first principle investigation of adsorption of hydrogen cyanide on the surface of Beryllium oxide nanotube. Presented at the 3rd Iranian National Conference on New Technologies in Chemical, Petrochemical, and Nanotechnology.
Authors: Rezaei-Sameti, M.; Barani Pour, S.; Jolodar Behbahani, H.; Abdoli, S..
Year: 2016
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