Mostafa Fakhraee

Hydroxyl-Functionalized 1-(2-Hydroxyethyl)-3-methyl Imidazolium Ionic Liquids: Thermodynamic and Structural Properties using Molecular Dynamics Simulations and ab Initio Calculations

Mostafa Fakhraee, Borna Zandkarimi, Hadi Salari et al. · The Journal of Physical Chemistry B · 2014 · 58 citations

Engineering, Computational Chemistry, Imidazolium Ionic Liquids +16

Ultrahigh Permeable C₂N-Inspired Graphene Nanomesh Membranes versus Highly Strained C₂N for Reverse Osmosis Desalination

Mostafa Fakhraee, Omid Akhavan · The Journal of Physical Chemistry B · 2019 · 34 citations

Influence of Butyl Side Chain Elimination, Tail Amine Functional Addition, and C2 Methylation on the Dynamics and Transport Properties of Imidazolium-Based [Tf₂N^–] Ionic Liquids from Molecular Dynamics Simulations

Mohammad H. Kowsari, Mostafa Fakhraee · Journal of Chemical & Engineering Data · 2015 · 32 citations

Deep Eutectic Solvent, C2 Methylation, Solid-state Ionic +15

Molecular Dynamics and <i>ab Initio</i> Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-Based [Tf₂N^–] Ionic Liquids

Mohammad H. Kowsari, Mostafa Fakhraee, Saman Alavi et al. · Journal of Chemical & Engineering Data · 2014 · 22 citations

Materials Science, Ionic Liquid, Deep Eutectic Solvent +15

Biodegradable Ionic Liquids: Effects of Temperature, Alkyl Side-Chain Length, and Anion on the Thermodynamic Properties and Interaction Energies As Determined by Molecular Dynamics Simulations Coupled with ab Initio Calculations

Mostafa Fakhraee, Mohammad Reza Gholami · Industrial & Engineering Chemistry Research · 2015 · 18 citations

Engineering, Computational Chemistry, Chemistry +20