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Physical Chemistry Chemical Physics : PCCP|October 8, 2024
Comparative assessment of the performance of density functionals and dispersion correction on different properties of dicationic ionic liquids - an ab initio molecular dynamics (AIMD) studyZahra Ostadsharif Memar, Majid MoosaviPhysical Chemistry Chemical Physics : PCCP|December 16, 2025
Ammonium-based deep eutectic solvents for sustainable CO2 capture: insights from DFT, COSMO-RS, and MD simulationsZahra Ostadsharif Memar, Majid MoosaviThe Journal of Chemical Physics|December 27, 2023
Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findingsZahra Ostadsharif Memar, Majid MoosaviThe Journal of Physical Chemistry. B|October 16, 2023
Uncovering the Properties of Dicationic Ionic Liquid Nanodroplets through Ab Initio Molecular Dynamics SimulationsZahra Ostadsharif Memar, Majid MoosaviPhysical Chemistry Chemical Physics : PCCP|October 21, 2020
Extension of transferable coarse-grained models to dicationic ionic liquidsMajid Moosavi, Zahra Ostadsharif MemarThe Journal of Physical Chemistry. B|August 31, 2025
Binary Mixtures of Ionic Liquids to Enhance Dicationic Ionic Liquid Performance: Insights from Molecular Dynamics Simulations and Quantum MechanicsZahra Ostadsharif Memar, Majid Moosavi, Zahra KeyvanfardThe Journal of Physical Chemistry. B|February 3, 2017
Tricationic Ionic Liquids: Structural and Dynamical Properties via Molecular Dynamics SimulationsElaheh Sedghamiz, Majid MoosaviRSC Advances|December 21, 2022
DFT and COSMO-RS studies on dicationic ionic liquids (DILs) as potential candidates for CO2 capture: the effects of alkyl side chain length and symmetry in cationsMehrangiz Torkzadeh, Majid MoosaviPhysical Chemistry Chemical Physics : PCCP|May 16, 2018
Probing the tricationic ionic liquid/vacuum interface: insights from molecular dynamics simulationsElaheh Sedghamiz, Majid MoosaviThe Journal of Chemical Physics|April 16, 2024
Multiscale modeling of CO2 capture in dicationic ionic liquids: Evaluating the influence of hydroxyl groups using DFT-IR, COSMO-RS, and MD simulation methodsMehrangiz Torkzadeh, Majid MoosaviPageof 3