Ehsan Shakerzadeh
Shahid Chamran University of Ahvaz
H-index: 26
Asia-Iran
Top articles of Ehsan Shakerzadeh
Understanding the Interaction Mechanism between the Epinephrine Neurotransmitter and Small Gold Nanoclusters (Aun; n = 6, 8, and 10): A Computational Insight
ACS omega
2024/1/8
Ehsan Shakerzadeh
H-Index: 15
Amit Pathak
H-Index: 8
Gas-phase conformational analysis and vibrational signatures of diphenhydramine: Investigating the interplay with hydrochloride
Journal of Molecular Structure
2024/4/5
A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium
Computational and Theoretical Chemistry
2024/3/2
Structural investigations on nickel substituted zinc magnesium ferrites nanoparticles formed via co-precipitation method
Inorganic Chemistry Communications
2024/2/10
Vijay Kumar Mishra
H-Index: 2
Ehsan Shakerzadeh
H-Index: 15
In silico investigation on sensing of tyramine by boron and silicon doped C60 fullerenes
Scientific Reports
2023/12/14
Histamine sensing by boron and silicon doped C60 fullerenes: A first principles investigation
Diamond and Related Materials
2023/12/1
In silico investigation on interaction of small Ag6 nano-particle cluster with tyramine neurotransmitter
Scientific Reports
2023/11/18
Structural and vibrational spectroscopic signature of a bio-relevant molecule:(E)-3-(2-(4-methoxyphenyl) hydrazineylidene) chromane-2, 4-dione
Computational and Theoretical Chemistry
2023/11/1
A quantum chemical perspective on the potential application of Fe-decorated C24N24 porous fullerene for catalytic ethylene epoxidation
Polyhedron
2023/10/1
Hosein Hamadi
H-Index: 8
Ehsan Shakerzadeh
H-Index: 15
Effect of global charge on stability and electronic properties of B36N36 cage and isomers
Physica E: Low-dimensional Systems and Nanostructures
2023/8/1
Martin Salazar Villanueva
H-Index: 12
Ehsan Shakerzadeh
H-Index: 15
Exploring the potential use of pristine and metal-encapsulated B36N36 fullerenes in delivery of β-lapachone anticancer drug: DFT approach
Polyhedron
2023/3/1
Ehsan Shakerzadeh
H-Index: 15
A theoretical perspective on the adsorption performance of pristine and Metal-encapsulated B36N36 fullerenes toward the hydroxyurea and nitrosourea anticancer drugs
Inorganic Chemistry Communications
2023/2/1
Ehsan Shakerzadeh
H-Index: 15
Exploring the potential use of Fe-decorated B40 borospherene as a prospective catalyst for oxidation of methane to methanol
Journal of Molecular Graphics and Modelling
2023/1/1
Hosein Hamadi
H-Index: 8
Ehsan Shakerzadeh
H-Index: 15
Theoretical study of the application of decaborane nanobasket (B10H14) and its fluorinated derivatives as anode materials of Lithium-ion batteries: Density Functional Theory
Iranian Journal of Chemistry
2022/8/23
Ehsan Shakerzadeh
H-Index: 15
Boron clusters in biomedical applications: A theoretical viewpoint
2022/8/11
Ehsan Shakerzadeh
H-Index: 15
Elham Tahmasebi
H-Index: 18
Pristine and alkali and alkaline earth metals encapsulated B36N36 nanoclusters as prospective delivery agents and detectors for 5‐fluorouracil anticancer drug
Applied Organometallic Chemistry
2022/7
Ehsan Shakerzadeh
H-Index: 15
Acetylsalicylic acid interaction with Boron nitride nanostructures–A density functional analysis
Journal of Molecular Liquids
2022/6/1
Ehsan Shakerzadeh
H-Index: 15
A comparative DFT study on prospective application of C24, Si12C12, B12N12, B12P12, Al12N12, and Al12P12 nanoclusters as suitable anode materials for magnesium-ion batteries (MIBs)
Physica E: Low-dimensional Systems and Nanostructures
2022/6/1
Ehsan Shakerzadeh
H-Index: 15
Zabiollah Mahdavifar
H-Index: 11
Endohedral M@B40 (M = Na and Ca) metalloborospherenes as innovative potential carriers for chemotherapy melphalan drug: A theoretical study
Applied Organometallic Chemistry
2021/12
Ehsan Shakerzadeh
H-Index: 15
Efficient carriers for anticancer 5-fluorouracil drug based on the bare and M− encapsulated (M= Na and Ca) B40 fullerenes; in silico investigation
Journal of Molecular Liquids
2021/12/1
Ehsan Shakerzadeh
H-Index: 15
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