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 type: Journal Title DOI type Feasibility of qualitative identification of some metal elements in rice grains using laser desorption ionization-time of flight mass spectrometry # Journal The effect of water molecule configurations on the type of core ionized site: O1s core ionization of ascorbic acid in water 10.1016/j.molliq.2024.126341 Journal Mechanistic insight into the catalytic activities of metallic sites on nitrogen-doped graphene quantum dots for CO2 hydrogenation 10.1016/j.cartre.2024.100430 Journal The effect of metal centers on the electronic transitions of HOMO- and heteronuclear Ru(II) and Os(II) complexes with 2,3,5,6-tetrakis(2-pyridyl) pyrazine: A combined theoretical and experimental study 10.1016/j.ica.2024.122383 Journal Electrochemical synthesis of Mn-Ni-S on titania nanotubes as new dual-function electrodes for photo-assisted asymmetric supercapacitors 10.1016/j.ijhydene.2024.09.192 Journal Comprehensive Computational Investigation of the Porphyrin-Based COF as a Nanocarrier for Delivering Anti-Cancer Drugs: A Combined MD Simulation and DFT Calculation 10.1021/acs.langmuir.4c02154 Journal The Effect of Doping TiO2 Monolayer with Sn+4, Pb+4, and S-2 Ions on H2 Production by Photocatalytic Water Splitting: Periodic DFT Modeling # Journal Intermolecular hydrogen bonding in DNA base pairs interacting with different numbers of bare and hydrated Li+: NBO, QTAIM, and computational spectroscopic studies # Journal Theoretical Spectroscopic Study of Normal Raman and Charge Transfer Surface-Enhanced Raman Scattering (SERS) Spectra of the Adsorbed <scp>l</scp>- and <scp>d</scp>-Cysteine on the Chiral Au<sub>34</sub> and Ag<sub>4</sub>@Au<sub>30</sub> Nanoclusters 10.1021/acs.jpca.4c00699 Journal Fabrication and photo/electrochemical properties of cobalt-manganese binary metal sulfides deposited on titania nanotubes: Efficient and stable photoelectrodes for photo-assisted charging supercapacitors 10.1016/j.est.2023.109666 Journal
