Articles

Journal Papers
Title DOI Date 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
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 Journal
The adsorption of sulfur mustard chemical warfare agent on the Ga12N12 and Ga12O12 nanocages A systematic DFT study # 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 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 # Journal
A curcumin-nicotinoyl derivative and its transition metal complexes: synthesis, characterization, and in silico and in vitro biological behaviors 10.1039/d3dt01351k Journal
Preparation of photo-rechargeable asymmetric supercapacitors using S,W-codoped titania: Experimental and theoretical insights 10.1016/j.jallcom.2023.170722 Journal
Preparation of Iron and Chromium Co-Doped TiO2 Nanotubes and Study of Their Photoelectrochemical Properties 10.1007/s11664-023-10596-3 Journal
Electrocatalytic and photocatalytic activity of a nickel (II) quinacridone complex 10.1016/j.matchemphys.2023.127823 Journal
Charge Transfer Surface-Enhanced Raman and Absorption Spectra of the Zwitterionic Form of Cysteine Adsorbed on M@Au12 (M = Au, Ag, Pt, and Pd) Nanoclusters # Journal
Simultaneous Immunomodulation and Tissue Protection on the Rheumatoid Arthritis Models Using a Tragacanth Frankincense-Based Core-Shell Nanostructure 10.1021/acsanm.2c05135 Journal