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 More ArticlesJournal Papers Title DOI type Feasibility of qualitative identification of some metal elements in rice grains using laser desorption ionization-time of flight mass spectrometry # 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 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 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 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 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
