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Updated: Sep 5, 2025

Preparation and Characterization of C60/Graphene Hybrid Nanostructures
Published on: May 15, 2018
Absorption of tranylcypramine on C60 nanocage: Thermodynamic and electronic properties
Yasaman Najibzade1, Enayatollah Sheikhhosseini1, Mohammad Reza Akhgar1
1Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, Iran.
Abstract:
Reactivity characteristics of Tranylcypramine and adopting on C60 (ih) in gas and water phases have been focused in the present work, using DFT B3LYP/6-311+G (d, p). Calculation of chemical structure (dipole momentum), thermodynamic features (gibbs free energy, enthalpy, entropy, as well as thermal capacity) and electronic parameters (σ, μ, ω, χ and η) were carried out. Based on the calculations of HOMO and LUMO energy, Tranylcypramine indicated the properties of stability and reactivity. There are two active sites for Tranylcypramine, which both show thermodynamic stability.
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