|
Solvent-Free Synthesis of alpha-Cyanophosphonates from beta-Nitrostyrenes by Using a Deep-Eutectic Solvent Catalyst |
January |
2024 |
|
Gold(i)-catalyzed cycloisomerization of alcohol or amine tethered-vinylidenecyclopropanes providing access to morpholine, piperazine or oxazepane derivatives: a carbene versus non-carbene process |
February |
2023 |
|
Electrochemical co-deposition of cobalt and graphene, produced from recycled polypropylene, on TiO2 nanotube as a new catalyst for photoelectrochemical water splitting |
January |
2023 |
|
The theoretical study of electron-induced trimerization of acrylic acid anion radical in the gas phase |
May |
2023 |
|
MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids |
May |
2023 |
|
Employing nano-SnFe2O4 in the synthesis of arylbenzimidazoles, the computational study of the reaction mechanism, and examining the products as putative human transmembrane protein activators |
July |
2023 |
|
Nitrogen‑modified graphene as a metal‑free carbocatalyst for the solvent‑free oxidative homo‑ and heterocoupling of amines |
April |
2022 |
|
Synthesis of 14H-dibenzoxanthenes in green media using Sn (II)/nano silica as an efficient catalyst |
November |
2022 |
|
Synthesis of Ag/CoFe2O4 magnetic aerogel for catalytic reduction of nitroaromatics |
January |
2022 |
|
Phosphorous‐modified Porous Carbon Supported Nickel Nanoparticles as a Catalyst for the Reduction of Nitroaromatics in Water |
September |
2022 |
|
CuI-catalyzed, one-pot synthesis of 3-aminobenzofurans in deep eutectic solvents |
August |
2021 |
|
Low‐temperature preparation and photoelectrochemical properties of TiO2 nanotubes‐graphene‐CNT hybrid structure |
January |
2021 |
|
One‐Pot Synthesis of Hantzsch 1, 4‐Dihydropyridines by a Series of Iron Oxide Nanoparticles: Putative Synthetic TRPV6 Calcium Channel Blockers |
February |
2021 |
|
Developing a variation of 3D‐QSAR/MD method in drug design |
February |
2021 |
|
Catalyst-Free Synthesis of Benzofuran Derivatives from Cascade Reactions between Nitroepoxides and Salicylaldehydes |
March |
2021 |
|
A DFT Study on the Interaction of Doped Carbon Nanotubes with H2S, SO2 and Thiophene |
June |
2021 |
|
Regioselective and solvent-free arylation of β-nitrostyrenes with mono-and dialkyl anilines |
January |
2021 |
|
Preparation of gold-decorated simple and sulfur-doped carbon spheres for desulfurization of fuel |
Spring |
2020 |
|
Oil removal from water using highly hydrophobic, ultralight carbon microspheres |
March |
2020 |
|
Gold-decorated sulfur-doped carbon nanotubes as electrocatalyst in hydrogen evolution reaction |
Summer |
2020 |
|
Synthesis of α-cyano hydroxylamine via three-component reactions and Computational mechanistic study |
February |
2020 |
|
Choline chloride‐urea deep eutectic solvent as an efficient media for the synthesis of propargylamines via organocuprate intermediate. |
January |
2020 |
|
Sulfur–doped Graphene as an Efficient Metal–free Carbocatalyst for the Synthesis of 1,5–Benzodiazepines Derivatives |
January |
2020 |
|
Theoretical calculation of simple and doped CNTs with the potential adsorption of various ions for water desalination technologies |
February |
2020 |
|
Conversion of β‐Nitrostyrenes to Naphthofurans via a Cascade Reaction with α‐and β‐Naphthols |
January |
2020 |
|
Synergism effect of first row transition metals in experimental and theoretical activity of NiM/rGO alloys at hydrogen evolution reaction in alkaline electrolyzer |
Summer |
2020 |
|
AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study |
February |
2020 |
|
The synthesis of sulfur-doped carbon nanofibers using chemical vapor deposition on the nickel-ferrite catalyst and the gold decoration of the product for morphine sensing. |
January |
2020 |
|
Using ONIOM calculations to investigate the abilities of simple and N, B, S-doped carbon nanotubes in sensing of carbon monoxide |
Summer |
2020 |
|
Sulfur doped carbon porous as an efficient catalyst for sustainable energy processes |
January |
2020 |
|
Polysulfone-highly uniform activated carbon sphere Mixed-Matrix Membrane intended for efficient purification of dye wastewater |
May |
2019 |
|
Synthesis Of di- and tri-substituted thiourea derivatives in water using choline chloride–urea catalyst |
February |
2019 |
|
Mechanistic details for the reaction of methyl acrylate radical anion: a DFT study |
December |
2019 |
|
Synthesis of Si-Doped CNT and Its Catalytic Ability in Hydrogen Evolution Reaction |
January |
2019 |
|
Immobilized Gelatin–λ–Carrageenan on Magnetite Nanoparticles as an Efficient Organocatalyst for Enantioselective Biginelli Reaction |
March |
2019 |
|
DFT study on the mechanistic details of the hydrolysis of dicyan using acetaldehyde as the first organocatalyst |
April |
2019 |
|
Antiproliferative activity of morpholine-based compounds on MCF-7 breast cancer, colon carcinoma C26 and normal fibroblast NIH-3T3 cell lines and study of their binding affinity to calfthymus-DNA and bovine serum albumin |
September |
2019 |
|
Synthesis of multi-walled phosphorus and sulfur co-doped CNTs |
December |
2018 |
|
Synthesis of sulfur-doped carbon nanotubes from sulfur powder using chemical vapor deposition |
Summer |
2018 |
|
Theoretical study of the possible mechanisms for the synthesis of dialkyl thiourea from dithiocarbamate |
June |
2018 |
|
High Catalytic Ability of Fe3O4/EDTA Magnetic Nanocatalyst in Comparison with Various Deep Eutectic Solvents for One-Pot Synthesis of 4H-Pyrans |
December |
2018 |
|
A DFT study on the catalytic ability of aluminum doped graphene for the initial steps of the conversion of methanol to gasoline |
March |
2018 |
|
Synthesis of highly uniform sulfur-doped carbon sphere using CVD method and its application for cationic dye removal in comparison with undoped product |
December |
2018 |
|
Polystyrene bis[N-(2-pyridyl) sulfonamide] palladium(II): Synthesis, characterization as a catalyst for coupling reactions |
Spring |
2018 |
|
Adsorption of CO2 on sodium iodide (NaI) n (n≤ 10) clusters: A density functional theory investigation |
December |
2018 |
|
Synthesis of phosphorus doped carbon nanotubes using chemical vapor deposition |
April |
2018 |
|
Preparation of choline chloride/urea deep eutectic solvent-modified magnetic nanoparticles for synthesis of various 2-amino-4H-pyran derivatives in water solution |
Fall |
2017 |
|
Study of Binding Energies using DFT methods, Vibrational Frequencies and Solvent Effects in the Interaction of Silver ions with Uracil Tautomers |
Winter |
2017 |
|
DFT, NBO and molecular docking studies of the adsorption of fluoxetine into and on the surface of simple and sulfur-doped carbon nanotubes |
Summer |
2017 |
|
Synthesis of 14H‑dibenzo xanthene derivatives using choline chloride/tin(II) chloride deep eutectic solvent and Fe3O4/ƛ‑carrageenan/Zn(II) |
Spring |
2017 |
|
Zinc cation supported on carrageenan magnetic nanoparticles: A novel, green and efficient catalytic system for one‐pot three component synthesis of quinoline derivatives |
Summer |
2017 |
|
Theoretical investigation on the performance of simple and doped graphenes for the surface adsorption of various ions and water desalination |
Summer |
2017 |
|
One-pot synthesis of quinoline derivatives using choline chloride/tin (II) chloride deep eutectic solvent as a green catalyst |
Spring |
2016 |
|
A sulfur doped carbon nanotube as a potential catalyst for the oxygen reduction reaction |
Summer |
2016 |
|
The synthesis of coumarin derivatives using choline chloride/zinc chloride as a deep eutectic solvent |
February |
2016 |
|
A molecular dynamics investigation on the interaction properties of AzrC and its cofactor |
Fall |
2016 |
|
A simple synthesis of sulfur-doped graphene using sulfur powder by chemical vapor deposition |
April |
2016 |
|
Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase |
Summer |
2016 |
|
Study of Noncovalent Interactions of End-Caped Sulfur-Doped Carbon Nanotubes Using DFT, QTAIM, NBO and NCI Calculations |
Fall |
2016 |
|
The Substituent Effect on the Energy Profiles of Inter and Intramolecular Proton Transfers between Phosphine Oxide‐Phosphinous Acid Tautomers |
Spring |
2016 |
|
DFT Study of the effects of counter ions on bonding, molecular and spectral properties of pentaflourophenyl xenonium diflouride cation |
September |
2015 |
|
A DFT study of inter- and intramolecular proton transfer in 2-selenobarbituric acid tautomers |
Summer |
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 calculatio |
Summer |
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 |
October |
2015 |
|
Adsorption of molecular iodine on the surface of sulfur-doped carbon nanotubes: theoretical study on their interactions, sensor properties, and other applications |
Spring |
2015 |
|
Palladium complexes with 3-phenylpropylamine ligands: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as heterogeneous catalysts |
Fall |
2015 |
|
Deep Eutectic Solvent as a Recyclable Catalyst for Three-Component Synthesis of b-Amino Carbonyls |
Winter |
2015 |
|
An Exceptional Functionalization of Doped Fullerene Observed via Theoretical Studies on the Interactions of Sulfur‐ Doped Fullerenes with Halogens and Halides |
Fall |
2015 |
|
DFT, QTAIM, and NBO Study of Adsorption of Rare Gases into and on the Surface of Sulfur-Doped, Single-Wall Carbon Nanotubes |
Winter |
2015 |
|
A DFT, AIM and NBO study of adsorption and chemical sensing of iodine by S-doped fullerenes |
June |
2014 |
|
A theoretical study of stabilities, reactivities and bonding properties of XKrOH (X= F, Cl, Br and I) as potential new krypton compounds using coupled cluster, MP2 and DFT calculations |
September |
2014 |
|
Photocatalytic reduction of CO< sub> 2</sub> to CO by a dinuclear carbonyl polypyridyl rhenium (I) complex |
August |
2014 |
|
Synthesis, FT-IR, NMR and DFT analysis of a new salophen based on diaminophenazine moiety |
January |
2014 |
|
Structural and theoretical studies of mono and di-insertion of symmetric alkynes into the Pd–C σ bond of cyclopalladated secondary (< i> tert</i>-butyl and ethyl) benzylamines |
February |
2014 |
|
Coupled cluster, MP2, and DFT study of structures, stabilities, vibrations, and bonding properties of XXeOH (X= F, Cl, Br, and I) |
April |
2014 |
|
Selective gas sorption and electrochemical properties of a dicyanamide coordination polymer: Insight from experimental and theoretical study |
February |
2014 |
|
Synthesis, spectral characterization and theoretical investigation of some new mercury four coordinated complexes |
May |
2014 |
|
Syntheses, studies and crystal structure of new coordination polymers of mercury (II) with phenylcyanamide derivative ligands |
May |
2014 |
|
DFT, AIM, and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens, CH3OH, CH3SH, H2O, and H2S |
October |
2014 |
|
Synthesis, structural and theoretical studies of Pd (II) complexes containing an orthometallated C, C-chelating phosphorus ylide |
September |
2013 |
|
Removing Cd2+ from water and wastewater by blowy sand; the effects of total hardness and pH, Desalination and water treatment |
May |
2013 |
|
DFT and MP2 Study of Low barrier Proton Transfer in Hydrazide Schiff Base Tautomers via Water Bridges and in the gas |
August |
2013 |
|
Barrierless Inter and Intramolecular Proton Transfer; A DFT Study of Tautomerism in Microsolvated and Protonated Systems |
Fall |
2013 |
|
DFT Study of Kinetic and Thermodynamic Parameters of Tautomerism in 4-acyl Pyrazolone |
June |
2013 |
|
Tautomerism, dynamic properties and level crossing in 2-(pyridin-2-yl) furan-3-ol by density functional theory and natural bond orbital analysis |
May |
2012 |
|
DFT, AIM, and NBO analyses of 1-methyl-2-thioxoimidazolidin-4-one tautomers and their complexes with iodine |
July |
2012 |
|
DFT and MP2 Study of Isomery Scheme in Formazan and Intermolecular and Intramolecular Proton Transfer Between Its Tautomers |
January |
2012 |
|
Computational Study of Dynamic Motions and Possibility of Crossing between Surfaces in 3-Hydroxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-one |
June |
2011 |
|
Possibility of non-adiabatic level crossing by DFT study of tautomerism and potential energy surfaces in of 3-hydroxy-5-(pyrimidin-2-yl)-2H-pyrrol-2-one and its tautomer |
January |
2011 |
|
Kinetic and thermodynamic study of inter and intramolecular proton transfer in N'-acetyl formohydrazide tautomers |
July |
2011 |
|
FT-IR Vibrational Spectra, NMR and Molecular Structure Investigation of Oxycodone and Naltrexone: A Combined Experimental and Theoretical Study |
March |
2011 |
|
Free energy relationships via tautomerism in para-acetophenone derivatives |
July |
2011 |
|
DFT Study of Simple and Water-assisted Tautomerism in Amidrazones |
February |
2011 |
|
Synthesis, spectroscopic and thermal studies of some IIB group complexes with a new N2-Schiff base ligand |
April |
2011 |
|
Synthesis and computational study of phosphorus ionic liquids |
April |
2010 |
|
DFT study of 1,3- and 1,5- simple and water-assisted tautomerism of 1,3-oxazine-4,6-diones and 1,3-thiazine-4,6-diones |
January |
2010 |
|
DFT study of N'-acetyl formohydrazide isomers |
February |
2010 |
|
DFT Study of Tautomerism in Azirine and Related Systems |
March |
2010 |
|
Synthesis and characterization of two new halo complexes of iodine: (C4H9)4N[I2Br]- and (C4H9)4N[I2Cl]- and theoretical calculations of their structures |
January |
2009 |
|
Computational Study of Simple and Water-assisted Tautomerism of Hydroxamic Acids |
June |
2009 |
|
Regioselective α- and β-Addition to Alkyl Propiolates: Experimental and Theoretical Study |
September |
2009 |
|
Theoretical Investigation of Tautomerism in N-Hydroxy Amidines |
April |
2009 |
|
New Aluminum-based Ionic liquids: Synthesis, Characterization, and Theoretical Study |
August |
2009 |
|
Synthesis and Characterization of Two New Fluoroplumbate(II) Complexes: Tetrabutylammonium Fluorodihaloplumbate , (But)4N[PbX2F] (X = Cl, I) |
January |
2008 |
|
Chemoselective Addition of Organomethalic Reagents to Oxime ethers in One-Pot, Three Component Reactions |
November |
2007 |
|
Preparation of trisubstituted hydrazines from aldehydes |
March |
2006 |
|
One-pot Synthesis of Secondary Amines and Trisubstituted Hydrazines from Ketones |
June |
2006 |
|
A General One-Pot, Three-Component Mono-N-Alkylation of Amines and Amine Derivatives in Lithium Perchlorate/Diethyl Ether Solution (5.0 M) |
October |
2005 |
|
One-pot Synthesis of a-Substituted Hydroxylamine Derivatives from Aldehydes Using Lithium Perchlorate/ Diethyl Ether (5.0 M) as a Catalyst |
April |
2003 |
|
One-Pot Synthesis of N-Hydroxy α-Amino Phosphnates from Aldehydes Using Lithium Perchlorate/ Diethyl Ether as a Catalyst |
April |
2001 |
