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Ghatee, Mohammad Hadi, Bahrami, Maryam (2017) Emergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations. Chemical Physics, 490. 92-105 doi:10.1016/j.chemphys.2017.04.005

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Reference TypeJournal (article/letter/editorial)
TitleEmergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations
JournalChemical Physics
AuthorsGhatee, Mohammad HadiAuthor
Bahrami, MaryamAuthor
Year2017 (June)Volume490
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2017.04.005Search in ResearchGate
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Mindat Ref. ID5964545Long-form Identifiermindat:1:5:5964545:2
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Full ReferenceGhatee, Mohammad Hadi, Bahrami, Maryam (2017) Emergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations. Chemical Physics, 490. 92-105 doi:10.1016/j.chemphys.2017.04.005
Plain TextGhatee, Mohammad Hadi, Bahrami, Maryam (2017) Emergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations. Chemical Physics, 490. 92-105 doi:10.1016/j.chemphys.2017.04.005
In(n.d.) Chemical Physics Vol. 490. Elsevier BV

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Ghatee, Mohammad Hadi, Bahrami, Maryam, Khanjari, Neda (2013) Measurement and study of density, surface tension, and viscosity of quaternary ammonium-based ionic liquids ([N222(n)]Tf2N) The Journal of Chemical Thermodynamics, 65. 42-52 doi:10.1016/j.jct.2013.05.031
Ghatee, Mohammad Hadi, Ansari, Younes (2007) Ab initio molecular dynamics simulation of ionic liquids. The Journal of Chemical Physics, 126 (15). 154502pp. doi:10.1063/1.2718531
Sedghamiz, Tahereh, Bahrami, Maryam, Ghatee, Mohammad Hadi (2017) Enantiospecific adsorption of propranolol enantiomers on naturally chiral copper surface: A molecular dynamics simulation investigation. Chemical Physics, 487. 48-58 doi:10.1016/j.chemphys.2017.02.007
Ayatollahi, Seyyedeh Fatemeh, Bahrami, Maryam, Ghatee, Mohammad Hadi (2024) Electrochemical stability of low viscosity ion-pair electrolytes: Structure and interaction in quaternary ammonium-based Ionic liquid containing bis(trifluoromethylsulfonyl)imide anion and analogue. Electrochimica Acta, 501. 144762 doi:10.1016/j.electacta.2024.144762
Bahrami, Maryam, Ghatee, Mohammad Hadi, Ayatollahi, Seyyedeh Fatemeh (2020) Simulation of Wetting and Interfacial Behavior of Quaternary Ammonium and Phosphonium Ionic Liquid Nanodroplets Over Face-Centered Cubic Metal Surfaces. The Journal of Physical Chemistry B, 124 (14) 2835-2847 doi:10.1021/acs.jpcb.9b11617
Ghatee, Mohammad Hadi, Bahrami, Maryam, Khanjari, Neda, Firouzabadi, Habib, Ahmadi, Yasaman (2012) A Functionalized High-Surface-Energy Ammonium-Based Ionic Liquid: Experimental Measurement of Viscosity, Density, and Surface Tension of (2-Hydroxyethyl)ammonium Formate. Journal of Chemical & Engineering Data, 57 (8) 2095-2101 doi:10.1021/je201055w
Zolghadr, Amin Reza, Ghatee, Mohammad Hadi, Moosavi, Fatemeh (2016) The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids. Chemical Physics, 475. 23-31 doi:10.1016/j.chemphys.2016.05.022
Peñalber-Johnstone, Chariz, Adamová, Gabriela, Plechkova, Natalia V., Bahrami, Maryam, Ghaed-Sharaf, Tahereh, Ghatee, Mohammad Hadi, Seddon, Kenneth R., Baldelli, Steven (2018) Sum frequency generation spectroscopy of tetraalkylphosphonium ionic liquids at the air–liquid interface. The Journal of Chemical Physics, 148 (19). 193841pp. doi:10.1063/1.5009674
Fakhraee, Mostafa, Zandkarimi, Borna, Salari, Hadi, Gholami, Mohammad Reza (2014) Hydroxyl-Functionalized 1-(2-Hydroxyethyl)-3-methyl Imidazolium Ionic Liquids: Thermodynamic and Structural Properties using Molecular Dynamics Simulations and ab Initio Calculations. The Journal of Physical Chemistry B, 118 (49). 14410-14428 doi:10.1021/jp5083714
Bahrami, Maryam; Bahrami, Mehrangiz; Hoseini, S. Jafar; Ghatee, Mohammad Hadi (2025) Magnetization and superparamagnetic behavior of FeCu nanoalloys at room temperature via synthesis and simulation. Scientific Reports, 15 (1). doi:10.1038/s41598-025-01130-y
Asadi, Mozaffar, Ghatee, Mohammad Hadi, Torabi, Susan, Mohammadi, Khosro, Moosavi, Fatemeh (2013) Vanadyl Binary Schiff Base Complexes Containing N2O2Coordination Sphere: Synthesis, Ab Initio Calculations and Thermodynamic Properties. Journal of the Korean Chemical Society, 57. 63-72 doi:10.5012/jkcs.2013.57.1.63
 
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