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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

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Reference TypeJournal (article/letter/editorial)
TitleEnantiospecific adsorption of propranolol enantiomers on naturally chiral copper surface: A molecular dynamics simulation investigation
JournalChemical Physics
AuthorsSedghamiz, TaherehAuthor
Bahrami, MaryamAuthor
Ghatee, Mohammad HadiAuthor
Year2017 (April)Volume487
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2017.02.007Search in ResearchGate
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Mindat Ref. ID5964520Long-form Identifiermindat:1:5:5964520:3
GUID0
Full ReferenceSedghamiz, 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
Plain TextSedghamiz, 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
In(n.d.) Chemical Physics Vol. 487. Elsevier BV

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Ghatee, Mohammad Hadi, Sedghamiz, Tahereh (2014) Chiral recognition of Propranolol enantiomers by β-Cyclodextrin: Quantum chemical calculation and molecular dynamics simulation studies. Chemical Physics, 445. 5-13 doi:10.1016/j.chemphys.2014.10.008
Sedghamiz, Tahereh, Ghalami, Farhad, Sedghamiz, Elaheh, Bahrami, Maryam (2018) Chiral recognition of propranolol enantiomers by chiral ionic liquid: A quantum chemical calculation analysis. Computational and Theoretical Chemistry, 1140. 38-48 doi:10.1016/j.comptc.2018.07.017
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
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
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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
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
Ghaed-Sharaf, Tahereh, Yang, Ding-Shyue, Baldelli, Steven, Ghatee, Mohammad Hadi (2019) From Micelles to Vesicle and Membrane Structures of Double-Strand Ionic Liquids in Water: Molecular Dynamics Simulation. Langmuir, 35. 2780-2791 doi:10.1021/acs.langmuir.8b03773
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
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
Sababkar, Mahnaz; Foroutan, Masumeh (2025) Investigating nitrogen molecule adsorption on borophene surface using reactive molecular dynamics simulation. Chemical Physics, 597. doi:10.1016/j.chemphys.2025.112795
 
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