Azadeh Khanmohammadi

机构：Payame Noor University · ORCID：0000-0002-2444-4031

发表论文 53 篇 · 总被引 658 次 · h-index 15

代表论文

• Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study (2022 · Journal of Molecular Modeling · 被引 27)
• A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects (2022 · Journal of Molecular Modeling · 被引 26)
• Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase, Water and CCl4 Solutions (2022 · Chemical Research in Chinese Universities · 被引 26)
• DFT calculation of the interplay effects between cation–π and intramolecular hydrogen bond interactions of mesalazine drug with selected transition metal ions (Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+) (2021 · Theoretical Chemistry Accounts · 被引 26)
• Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study (2023 · Theoretical Chemistry Accounts · 被引 20)
• Theoretical study on the interaction of phenylalaninal with group IA (Li + , Na + , K + ) and IIA (Be 2+ , Mg 2+ , Ca 2+ ) metal cations (2021 · Journal of the Chinese Chemical Society · 被引 14)