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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

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Reference TypeJournal (article/letter/editorial)
TitleChiral recognition of Propranolol enantiomers by β-Cyclodextrin: Quantum chemical calculation and molecular dynamics simulation studies
JournalChemical Physics
AuthorsGhatee, Mohammad HadiAuthor
Sedghamiz, TaherehAuthor
Year2014 (December)Volume445
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2014.10.008Search in ResearchGate
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Mindat Ref. ID5963845Long-form Identifiermindat:1:5:5963845:2
GUID0
Full ReferenceGhatee, 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
Plain TextGhatee, 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
In(n.d.) Chemical Physics Vol. 445. Elsevier BV

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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
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
(2003) Molecular Modeling of the Chiral Recognition of Propranolol Enantiomers by a β-Cyclodextrin. Bulletin of the Korean Chemical Society, 24. 95-98 doi:10.5012/bkcs.2003.24.1.095
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
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Bodoki, Ede, Oltean, Mircea, Bodoki, Andreea, Ştiufiuc, Rareş (2012) Chiral recognition and quantification of propranolol enantiomers by surface enhanced Raman scattering through supramolecular interaction with β-cyclodextrin. Talanta, 101. 53-58 doi:10.1016/j.talanta.2012.09.001
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, Zolghadr, Amin Reza, Moosavi, Fatemeh, Pakdel, Leila (2011) The extent of molecular orientation at liquid/vapor interface of pyridine and its alkyl derivatives by molecular dynamics simulation. The Journal of Chemical Physics, 134 (7). 74707pp. doi:10.1063/1.3554361
Cao, Yujuan, Wu, Shuangshuang, Liang, Yaozhen, Yu, Ying (2013) The molecular recognition of β-cyclodextrin modified CdSe quantum dots with tyrosine enantiomers: Theoretical calculation and experimental study. Journal of Molecular Structure, 1031. 9-13 doi:10.1016/j.molstruc.2012.01.015
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
Alvira, E, Garcı́a, J.I, Mayoral, J.A (1999) Molecular modelling study for chiral separation of equol enantiomers by β-cyclodextrin. Chemical Physics, 240. 101-108 doi:10.1016/s0301-0104(98)00389-9
 
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