Hossein Farrokhpour h-farrokh@iut.ac.ir Office Chemistry Department Phone +98 311 3913243 Fax +98 311 3913252 Positions Professor of Physical Chemistry Research Interests Atomic and molecular spectroscopy (Experimental) Quantum mechanics and computational chemistry (Theoretical) Statistical mechanics Hossein Farrokhpour type: Journal Title Conference / Journal Date Optoelectronic and Photovoltaic Insights into C2N/Dye Interfaces for Efficient Solar Energy Conversion: A Theoretical Study Journal of Physical Chemistry C 2026-04 Investigation of the substitution impacts on 2-mercaptobenzothiazole (2-MBT) derivatives as volatile corrosion inhibitor: A DFT study Materials Today Communications 2026-04 Gas-Phase Dipeptide Fragmentation Catalyzed by Alkali Metal Ions (Li+ and Na+): Revealing an Alternative Pathway for Gas-Phase Peptide Formation ACS Earth and Space Chemistry 2026-03 Enhancing carminic acid anticancer potential: transforming a conventional nanocarrier to a multifunctional therapeutic nanoplatform for photodynamic ROS generation and FRET-based tracking NEW JOURNAL OF CHEMISTRY 2026-03 Impact of tautomerism on copper corrosion inhibition by 3-amino-1,2,4-triazole-5-thiol: A DFT and Monte Carlo study Results in Surfaces and Interfaces 2026-02 DFT Investigation of Na/Na+(Fe3O4)n and Na/Na+(Fe2O3)n Nanoclusters: Mechanistic Insights into Na Thermal Ionization JOURNAL OF CLUSTER SCIENCE 2026-02 Polypyridyl Ru(III), Rh(III), and Pd(II) complexes as electrocatalysts for acidic hydrogen evolution reaction MATERIALS CHEMISTRY AND PHYSICS 2026-02 Adsorption of the corrosion inhibitor benzotriazole on Cu(111), Zn(111), ZnCu(111) and Zn3Cu(111) nanosurfaces Results in Engineering 2026-02 Para methyl red dye complexation with the (100) and (111) TaON and (101) TiO2 monolayer nanosheets for dye-sensitized solar cell application: periodic and non-periodic DFT calculations Journal of the Iranian Chemical Society JICS 2026-01 Energy decomposition of the ibuprofen-COX-2 interaction using MD and SAPT(DFT) methods MOLECULAR PHYSICS 2026-01