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Conference Papers
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Reaction of 2-Acetylpyrole with Acetylenic Esters in Presence of Phosphorous Nucleophiles September 1999
Study of Substituent Effects in Phenyl Carbene and Rearrangement Products Via Ab-initio Calculations April 2002
Regioselectivity in Addition to Alkylpropionates September 2002
One-Pot Synthesis of Substituted Hydroxylamines Using LPDE 5M, XVIIIth Turkish National Congress, Kafkas University, Kars, Turkey, 6-9 July 2004 July 2004
One-Pot Synthesis of β- (N- Hydroxy Amino) Esters from Aldehydes February 2005
Addition of Allyl Tributyl Stananne to Oxime Ethers: Synthesis of Homoallylic Hydroxylamines February 2005
Preparation of secondary amines from one-pot reduction of ketimines September 2006
Diastreoselective addition to SAMP hydrazones March 2006
Preparation of various hydroxylamines in three component aminoreduction reaction March 2006
Direct conversion of epoxides to alpha substituted phosphonates and beta-hydroxy phosphonates in lithiumperchlorate/diethyl ether solution September 2006
Synthesis of α-Cyanohydroxylamines from Aldehydes September 2006
ynthesis of α-hydroxy amino phosphonates from aldehydes September 2007
Investigation of Tautomerism in Amidoximes by Theoretical Method September 2008
Study of undergraduate chemistry education in Iran July 2008
Investigation of Hydroxamic Acid Tautomers by DFT Method September 2009
One-pot reduction of aldimines in LPDE 5M March 2009
, Ionic Liquids: Synthesis and Characterisation of Triphenylphosphonium pentachlorohalophosphate (C6H5)3PH+[PCl5X]-, (X=F, Cl, I) , (TPPPCHP) 12th Iranian Inorganic Chemistry Seminar, Rasht, Iran, September 2010. September 2010
ynthesis, spectroscopic, theoritical and electrochemical studies of some new Zn(II), Cu(I) complexes September 2010
Synthesis, identification and theoretical study of some mercuric halide complexes September 2010
Synthesis, spectral, theoretical and electrochemical studies of some new complexes ofmercury and cadmium with a new asymmetric Schiff base ligand September 2010
Synthesis, and identification of some mercuric azide and thiocyanate complexes September 2010
Synthesis, spectral and theoretical studies of some new complexes of Zinc halides September 2010
Synthesis, identification and theoretical study of some cadmium azides and thiocyanate complexes September 2010
Synthesis, spectral and theoretical studies of some new zinc and cadmium complexes of a bidentate ligand September 2010
Study of tautomerism in azirine and related systems: DFT calculations in the gas phase and solvent June 2010
Synthesis, characterization of two new phosphates ionic liquids September 2010
DFT study of rate and equilibrium constants in tautomerism of organic structures September 2011
Study of Isomery Scheme in Acetyl Hydrazides by DFT Calculations February 2011
Computational study of inter and intramolecular proton transfer in amidrazones June 2011
heoretical studies of some new synthesized four coordinated cadmium complexes February 2011
Theoretical study of inter and intramolecular proton transfer in N-hydroxy amidines June 2011
A Theoretical Investigation Structure of Two Ionic Liquids (C6H5)3PH+[As2S3X]-, (X= Cl, I) February 2011
Theoretical study of some recently synthesized mercury and cadmium complexes with N, N-bis (3-(2nitrophenyl)propenaldehydene)-1, 2-phenylenediamine September 2011
Quantum mechanical study of interaction between 1-methyl-2-thioxoimidazolidin-4-one and I2 in the gas phase February 2011
Theoretical study of some recently synthesized mercury complexes with a Schiff base ligand September 2011
Computational Study of dynamic properties and level crossing in 2-(pyridin-2-yl) furan-3-ol September 2011
The Effect of Water on the Equilibrium and Rate Constant of Tautomerism in Hydroxamic Acids February 2011
Tautomery scheme in 4-acyl pyrazolone February 2012
Journal Papers
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One-Pot Synthesis of N-Hydroxy α-Amino Phosphnates from Aldehydes Using Lithium Perchlorate/ Diethyl Ether as a Catalyst April 2001
One-pot Synthesis of a-Substituted Hydroxylamine Derivatives from Aldehydes Using Lithium Perchlorate/ Diethyl Ether (5.0 M) as a Catalyst April 2003
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 Secondary Amines and Trisubstituted Hydrazines from Ketones June 2006
Preparation of trisubstituted hydrazines from aldehydes March 2006
Chemoselective Addition of Organomethalic Reagents to Oxime ethers in One-Pot, Three Component Reactions November 2007
Synthesis and Characterization of Two New Fluoroplumbate(II) Complexes: Tetrabutylammonium Fluorodihaloplumbate , (But)4N[PbX2F] (X = Cl, I) January 2008
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 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
DFT study of N'-acetyl formohydrazide isomers February 2010
DFT Study of Tautomerism in Azirine and Related Systems March 2010
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
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
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
DFT and MP2 Study of Isomery Scheme in Formazan and Intermolecular and Intramolecular Proton Transfer Between Its Tautomers January 2012
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 Study of Kinetic and Thermodynamic Parameters of Tautomerism in 4-acyl Pyrazolone June 2013
Barrierless Inter and Intramolecular Proton Transfer; A DFT Study of Tautomerism in Microsolvated and Protonated Systems Fall 2013
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
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
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
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
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
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
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
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
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
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
Study of Binding Energies using DFT methods, Vibrational Frequencies and Solvent Effects in the Interaction of Silver ions with Uracil Tautomers Winter 2017
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
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
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
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
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
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
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
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
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
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
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
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
Solvent-Free Synthesis of alpha-Cyanophosphonates from beta-Nitrostyrenes by Using a Deep-Eutectic Solvent Catalyst January 2024
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In Situ Addition of Organomethalic Reagents to Oxime Ethers August 2005
Multicomponent Additions to C=N Double Bond in Lithium Perchlorate July 2006
Preparation of hydrazones from one-pot reduction of ketohydrazones May 2007
Computational Study of Thiohydroxamic Acids Tautomers April 2009
Hammett equation in the rate and equilibrium constant of keto-enol tautomerism February 2012

تحت نظارت وف ایرانی

Publications | Professor Hossein Tavakol


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تحت نظارت وف ایرانی