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 Articles type: Journal Title DOI Year Month type Intermolecular hydrogen bonding in DNA base pairs interacting with different numbers of bare and hydrated Li+: NBO, QTAIM, and computational spectroscopic studies - 1403 03 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> Nanocluster… 10.1021/acs.jpca.4c00699 1403 01 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 1402 12 Journal Investigation of the effect of polarization between a solvated biomolecule and solvent on the biomolecule ionization energy using the SAC-CI method in the ONIOM scheme: Ascorbic acid in water 10.1016/j.jphotochem.2023.115153 1402 10 Journal The adsorption of sulfur mustard chemical warfare agent on the Ga12N12 and Ga12O12 nanocages A systematic DFT study - 1402 09 Journal Ionization of ascorbic acid in the presence of the first coordination shell of water: The effects of the conformational change, hydrogen bonding, and electrostatic interaction on the ionization energy 10.1016/j.molliq.2023.123341 1402 09 Journal Theoretical study of the electronic structure of the complexes of gold, silver, and copper mono- and bimetallic nanoclusters decorated on graphitic carbon nitride (g-C3N4): DFT and TD-DFT studies of photocatalytic activity - 1402 08 Journal Preparation of photo-rechargeable asymmetric supercapacitors using S,W-codoped titania: Experimental and theoretical insights 10.1016/j.jallcom.2023.170722 1402 07 Journal A curcumin-nicotinoyl derivative and its transition metal complexes: synthesis, characterization, and in silico and in vitro biological behaviors 10.1039/d3dt01351k 1402 07 Journal Preparation of Iron and Chromium Co-Doped TiO2 Nanotubes and Study of Their Photoelectrochemical Properties 10.1007/s11664-023-10596-3 1402 05 Journal
