Synthesis, FT-IR, NMR and DFT analysis of a new salophen based on diaminophenazine moiety |
April |
2014 |
Deep Eutectic Solvent as a Recyclable Catalyst for Three-Component Synthesis of b-Amino Carbonyls |
March |
2015 |
An Exceptional Functionalization of Doped Fullerene Observed via Theoretical Studies on the Interactions of Sulfur‐ Doped Fullerenes with Halogens and Halides |
September |
2015 |
DFT, QTAIM, and NBO Study of Adsorption of Rare Gases into and on the Surface of Sulfur-Doped, Single-Wall Carbon Nanotubes |
April |
2015 |
A DFT study of inter-and intramolecular proton transfer in 2-selenobarbituric acid tautomers |
May |
2015 |
New mixed ligand palladium (II) complexes based on the antiepileptic drug sodium valproate and bioactive nitrogen-donor ligands: Synthesis, structural characterization, binding interactions with DNA and BSA, in vitro cytotoxicity studies and DFT calculati |
June |
2015 |
Pyrazinamide drug interacting with Co (III) and Zn (II) metal ions based on 2, 2′-bipyridine and 1, 10-phenanthroline ligands: Synthesis, studies and crystal structure, DFT calculations and antibacterial assays |
January |
2015 |
Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase |
July |
2015 |
Adsorption of molecular iodine on the surface of sulfur-doped carbon nanotubes: theoretical study on their interactions, sensor properties, and other applications |
February |
2015 |
Study of Noncovalent Interactions of End-Caped Sulfur-Doped Carbon Nanotubes Using DFT, QTAIM, NBO and NCI Calculations |
August |
2015 |
The Substituent Effect on the Energy Profiles of Inter and Intramolecular Proton Transfers between Phosphine Oxide‐Phosphinous Acid Tautomers |
July |
2016 |
One-pot synthesis of quinoline derivatives using choline chloride/tin (II) chloride deep eutectic solvent as a green catalyst |
May |
2016 |
The synthesis of coumarin derivatives using choline chloride/zinc chloride as a deep eutectic solvent |
January |
2016 |
A sulfur doped carbon nanotube as a potential catalyst for the oxygen reduction reaction |
May |
2016 |
Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase |
Winter |
2016 |
A molecular dynamics investigation on the interaction properties of AzrC and its cofactor |
December |
2016 |
A simple synthesis of sulfur-doped graphene using sulfur powder by chemical vapor deposition |
March |
2016 |
Study of noncovalent interactions of end-caped sulfur-doped carbon nanotubes using DFT, QTAIM, NBO and NCI calculations |
March |
2016 |
Zinc cation supported on carrageenan magnetic nanoparticles: A novel, green and efficient catalytic system for one‐pot three component synthesis of quinoline derivatives |
August |
2017 |
Theoretical investigation on the performance of simple and doped graphenes for the surface adsorption of various ions and water desalination |
December |
2017 |