Articles

type: Journal
Title DOI Date type
A combined experimental and theoretical study of RuO<sub>2</sub>/TiO<sub>2</sub> heterostructures as a photoelectrocatalyst for hydrogen evolution 10.1039/d2dt04123e Journal
Substrate-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry of Some Small Biomolecules Using TiO2?Nanotubes: The Effect of Nanotube Diameter and Salt Addition # Journal
Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis # Journal
Be2C monolayer as an efficient adsorbent of toxic voletaile organic compound. theoretical investigation # Journal
Imine-Linked Covalent Organic Framework with a Naphthalene Moiety as a Sensitive Phosphate Ion Sensing 10.1021/acsami.1c24555 Journal
Theoretical study of the mechanism of Te (g)?+3F<sub>2</sub> (g)?TeF<sub>6</sub> (g) 10.1080/00268976.2022.2059411 Journal
Novel octanuclear copper(I) clusters [Cu8{(N)-(?4-S)}4(?3-I)2I2(PPh3)2] produced via reductive S-S bond cleavage of disulfide Schiff base ligands and their use as efficient heterogeneous catalysts in CuAAC click reaction # Journal
Fast and selective determination of the gasodor S-free using ion mobility spectrometer equipped with corona discharged ionization source: Theoretical study, experimental optimization and field test 10.1016/j.fuel.2022.123597 Journal
Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity # Journal
Application of cyclometalated rhodium(III) complexes as therapeutic agents in biomedical and luminescent cellular imaging # Journal
In situ generated Ligand-Free gold nanoparticles in polyvinylpyrrolidone solution assisted laser in liquid method for green oxidation of cyclohexane to adipic acid with high yield # Journal
Pd/Cu-Free Cobalt-Catalyzed Suzuki and Heck Using Green Bio-Magnetic Hybrid and DFT-Based Theoretical Study 10.1007/s10562-020-03487-3 Journal
A DFT study of the water-splitting photocatalytic properties of pristine, Nb-doped, and V-doped Ta3N5 monolayer nanosheets # Journal
Using surfactants as matrix for the matrix-assisted laser desorption/ ionization time of flight mass spectrometry (MALDI-TOF-MS) of amino acids: Sodium dodecyl sulfate (SDS) and sodium octyl sulfate (SOS) # Journal
Enhancement of photocatalytic oxidation of benzyl alcohol by edge-functionalized modified carbon nitride: A DFT evaluation 10.1016/j.jphotochem.2021.113452 Journal
Electrocatalytic cleavage of a carbon-chlorine bond by Re(IV)-chloro complex: a mechanistic insight from DFT 10.1007/s10800-021-01607-4 Journal
A facile method for sample preparation of ore for quantitative analysis by laser desorption ionization-time of flight mass spectrometry using an internal standard # Journal
A comparative theoretical study of the chiral discrimination of phenylalanine enantiomers by the cyclic peptides with different sizes as discriminating agents: A DFT study # Journal
Li + and Na + attachment to some dipeptides via LDI-TOF mass spectrometry: Fragmentation patterns # Journal
Dinuclear Nickel(II) and Copper(II) Complexes of 8-Quinoline-1 -H-pyrazole-3-carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations 10.1002/ejic.202100142 Journal