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Publications

Journal Papers
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DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect March 2023
A DFT study on 2X- imidazole derivatives (X = OH, NH2, and SH) as corrosion inhibitors on Cu surfaces: Tautomerism effect September 2023
Preparation of a novel BiVO4-Ni(Ⅱ)/g-C3N4 bifunctional photo electrocatalyst for oxidative and absorptive desulfurization of model fuel September 2023
Direct production of hydrogen peroxide over bimetallic CoPd catalysts: Investigation of the effect of Co addition and calcination temperature February 2023
Toward cleaner fuels: synergistic effects of carbon-doped and morphology of mesoporous TiO2 on enhanced photocatalytic performance in desulfurization reaction February 2023
Fabrication of g-C3N4 decorated BiVO4 composites and their application in photoelectrocatalytic and electrocatalytic oxidative desulfurization of dibenzothiophene under visible light irradiation February 2023
Enhanced BiVO4 photocatalytic and photoelectrocatalytic oxidative desulfurization performance via electrodeposited copper oxide nanoparticles March 2023
Surface modified mesoporous KIT-5: A catalytic approach to obtain butyl levulinate from starch April 2023
A novel photocatalytic and photoelectrocatalytic system for oxidative desulfurization of model fuel using BiVO4@ HKUST-1 composite in powder and deposited on fluorine-doped tin … December 2022
Modification g‐C3N4 by MgO and its application for glycerol carbonate synthesis from glycerol and dimethyl carbonate October 2022
Boron nitride nanosheets supported highly homogeneous bimetallic AuPd alloy nanoparticles catalyst for hydrogen production from formic acid December 2022
Production of γ-valerolactone over mesoporous CuO catalysts using formic acid as the hydrogen source May 2022
Biomass conversion to alkyl levulinates using heteropoly acid carbon mesoporous composites January 2022
Facile synthesis of Pd–Au/BNNS bimetallic catalysts for direct generation of H 2 O 2 from H 2 and O 2 under environmentally friendly conditions March 2022
In situ hydrogenation of phenol using sodium formate in an aqueous medium on unmodified palladium catalysts supported on KIT-5: Investigation of calcination temperature effect May 2022
Preparation of Alkyl Levulinates from Xylose Over Modified Bifunctional Mesoporous Zirconium Phosphate Catalysts September 2022
Organic-inorganic bi-functionalized hybrid KIT-5: A toolbox for catalytic dehydration of xylose to n-hexyl levulinate November 2022
A comparative theoretical study of the chiral discrimination of phenylalanine enantiomers by the cyclic peptides with different sizes as discriminating agents: A DFT study November 2021
Conversion of Levulinic Acid to n-Butyl Levulinate over Mesoporous Zirconium Phosphate Catalysts January 2021
Fabricating boron nitride nanosheets from hexagonal BN in water solution by a combined sonication and thermal-assisted hydrolysis method January 2021
Synthesis and characterization of Pd-Ni catalysts supported on KIT-6 and their application in cyclohexane oxidation using molecular oxygen October 2021
A new catalytic system for oxidative desulfurization of model diesel by hierarchical TiO 2 nanotube arrays on titanium foil, January 2021
Carrageenan-based green heterogeneous catalyst for production of 5-hydroxymethylfurfural by dehydrating fructose and glucose December 2021
Synthesis of arylhydrazone-based molecular switches using aryldiazonium silica sulfate nanocomposites and analysis of their isomerization October 2021
Photocatalytic oxidation of benzyl alcohol and the photoelectrochemical water splitting of visible light-activated TiO 2 nanostructures prepared by one-step titanium anodization February 2021
Synthesis of n-butyl levulinate as a fuel additive using bimetallic Zr/Al catalysts supported on mesoporous silica: Applying experimental design to optimize the reaction conditions May 2021
Application of vanadyl hydrogen phosphate/KIT-6 composites as a catalyst for dehydration of sucrose February 2021
Design of an acidic sulfonated mesoporous carbon catalyst for the synthesis of butyl levulinate from levulinic acid December 2021
Mono lacunary phosphomolybdate supported on mesoporous graphitic carbon nitride: an eco-friendly and efficient catalyst for oxidative desulfurization of the model and real fuels April 2021
Dehydration of carbohydrates into 5-hydroxymethylfurfural over vanadyl pyrophosphate catalysts January 2021
A DFT study on production of hydrogen from biomass-derived formic acid catalyzed by Pt–TiO2 August 2020
Direct production of hexyl levulinate as a potential fuel additive from glucose catalyzed by modified dendritic fibrous nanosilica January 2020
Reduction of para and ortho-nitrophenol with fixation of copper (II) complex on mesoporous silica KIT-5 August 2020
Glycerol adsorption and mechanism of dehydration to acrolein over TiO2 surface: A density functional theory study May 2020
Direct conversion of xylose to butyl levulinate over mesoporous zirconium silicates with an integrated dehydration alcoholysis process September 2020
Surface modification of alumina with P 2 O 5 and its application in 2-octanol dehydration January 2020
Sulfonated CMK-3: an effective catalyst for the glucose conversion to butyl levulinate as the fuel additive October 2020
Glycerol adsorption and mechanism of dehydration to acrolein over TiO2 surface: A density functional theory study January 2020
Surface modification of alumina with P 2 O 5 and its application in 2-octanol dehydration February 2020
The effect of the diameter of cyclic peptide nanotube on its chirality discrimination January 2019
Furfural oxidation to maleic acid with H2O2 by using vanadyl pyrophosphate and zirconium pyrophosphate supported on well-ordered mesoporous KIT-6 January 2019
VOHPO4. 5H2O/KIT-6 composites: Preparation and their application in extractive and catalytic oxidation desulfurization of benzothiophene and dibenzothiphene March 2019
Lacunary phosphomolybdate PMo11 supported on mesoporous KIT-6 as catalyst for oxidative desulfurization of model diesel April 2019
Sulfonated triazine-based covalent organic polymer supported on mesoporous material: a new and robust material for the production of 5-hydroxymethylfurfural March 2019
Synthesis of hexyl levulinate as a potential fuel additive from levulinic acid over a solid acid catalyst September 2019
Catalytic conversion of furfuryl alcohol to n-hexyl levulinate using modified dendritic fibrous nanosilica January 2019
Dehydration of fructose and glucose to 5-hydroxymethylfurfural over Al-KCC-1 silica February 2018
Alumina-coated mesoporous silica SBA-15 as a solid catalyst for catalytic conversion of fructose into liquid biofuel candidate ethyl levulinate October 2018
Density functional theory study of carbazole dyes: Potential application of carbazole dyes in dye-sensitized solar cells February 2018
KIT-6-anchored sulfonic acid groups as a heterogeneous solid acid catalyst for the synthesis of aryl tetrazoles March 2018
Fabrication and characterization of nanobiocomposite scaffold of zein/chitosan/nanohydroxyapatite prepared by freeze-drying method for bone tissue engineering January 2018
The effects of second electron acceptor group on the performance of tetrazole-based nanocrystalline TiO2 sensitizers in DSSCs January 2017
Green and selective oxidation of cyclohexane over vanadium pyrophosphate supported on mesoporous KIT-6 February 2017
Esterification of the levulinic acid with n-butyl and isobutyl alcohols over aluminum-containing MCM-41 November 2017
Interaction of lactic acid and silicon-doped single-walled carbon nanotubes: A DFT study, January 2017
Design and fabrication of novel chitin hydrogel/chitosan/nano diopside composite scaffolds for tissue engineering January 2017
Theoretical study on the bridge comparison of TiO2 nanoparticle sensitizers based on phenoxazine in dye-sensitized solar cells March 2017
One-pot synthesis of ethyl-3-aryl-2-(1H-tetrazol-5-yl)acrylates and 3-(1H-tetrazol-5-yl) coumarins via tandem [2+3] dipolar cycloaddition reaction-Knoevenagel condensation August 2016
The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine: A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate July 2016
A DFT approach for simple and solvent assisted-proton movement: Biurea as a case of study March 2016
Amino-functionalized mesoporous silica as solid base catalyst for regioselective aza-Michael reaction of aryl tetrazoles January 2016
A DFT approach for simple and solvent assisted-proton movement: Biurea as a case of study April 2016
Comparing the ion affinity of two ionophores: Theoretical study of alkali earth metal ion-nano tubular cyclic peptide complexes August 2016
Production of 5-hydroxymethylfurfural from fructose using spherically fibrous KCC-1 silica catalyst April 2016
Theoretical study of microhydrated cyclo(L-pro)4-alkali cation complexes February 2016
96. The Catalytic Conversion of Fructose into 5-Hydroxymethylfurfural Over Acid-Functionalized KIT-6, an Ordered Mesoporous Silica January 2016
Preparation, characterization, degradation and biocompatibility of different silk fibroin based composite scaffolds prepared by freeze-drying method for tissue engineering application, June 2015
Dissociation, absorption and ionization of some important sulfur oxoanions (S2O n 2-n= 2, 3, 4, 6, 7 and 8), May 2015
A theoretical study on the interaction of amphetamine and single-walled carbon nanotubes April 2015
Metal ion binding of s-block cations and nanotubular cyclic (proline)4: A theoretical study March 2015
Fluorine substituent effect on the adsorption of acetic acid derivatives (CH3-n FnCO2H) on Anatase TiO2 (100) and (101) surfaces July 2015
Application of functionalized mesoporous silica catalyst for the synthesis of tetrazoles October 2015
A theoretical study on the interaction of amphetamine and single-walled carbon nanotubes April 2015
Silver nanoparticles with 4,4′-dicyanamidobiphenyl Ligand: Synthesis, photoluminescent and electroluminescent properties and DFT calculations March 2015
New Tetrazole-Based Organic Dyes for Dye-Sensitized Solar Cells December 2015
Fabrication and characterization of POM/ZrO2/silk fibroin composites scaffold, April 2015
A theoretical study on the interaction of amphetamine and single-walled carbon nanotubes April 2015
Catalytic conversion of glucose to 5-hydroxymethylfurfural (HMF) using nano-POM/nano-ZrO2/nano-g-Al2O3 February 2015
Selective complexation of s-block cations and nanotubular silk type cyclopeptides: A DFT study, Abbas Teimouri, Batoul Najari, Alireza Najafi Chermahini, Hossein Farrokhpour, J. Chinese Chemical Society, 2015, September 2015
Novel organic dyes with anchoring group of barbituric/thiobarbituric acid and their application in dye-sensitized solar cells, May 2015
Tautomerism and mechanism of intramolecularproton transfer both in the gas phase and micro-hydrated solvent: Biuret as a case study, March 2015
Selective complexation of alkaline earth metal ions with nanotubular cyclopeptides: DFT theoretical study February 2015
A DFT-D study on the interaction between lactic acid and single-wall carbon nanotubes August 2015
Protein-ligand interaction study of signal transducer smoothened protein with different drugs: Molecular docking and QM/MM calculations, June 2015
Nano-composite of Silk fibroin-Chitosan/Nano ZrO2 for tissue engineering applications: Fabrication and morphology, May 2015
Synthesis and characterization of Chitosan/montmorillonite/ZrO2 nanocomposite and its application as adsorbent for removal of fluoride, January 2015
Synthesis and characterization of organic dyes bearing new electron-withdrawing group for dye-2 sensitized solar cells October 2015
Synthesis of triazenes by using aryl diazonium silica sulfates under mild conditions January 2014
Anti-inflammatory drugs interacting with Zn(II) metal ion based on thiocyanate and azide ligands: Synthesis, spectroscopic studies, DFT calculations and antibacterial assays March 2014
62. Theoretical study on structure, conformation, stability and electronic transition of C4 and C5 anions of ascorbic acid stereoisomers June 2014
61. Fabrication and characterization of silk/forsterite composites for tissue engineering applications April 2014
59. Theoretical studies on proton transfer reaction of 3(5)-substituted pyrazoles January 2014
58. Selective complexation of alkali metal ions and nanotubular cyclopeptides A DFT study February 2014
The green synthesis of new azo dyes derived from salicylic acid derivatives catalyzed via Baker’s yeast and solid acid catalysis, February 2013
An efficient and one-pot synthesis of benzimidazoles, benzoxazoles, benzothiazoles and quinoxalines catalyzed via nano-solid acid catalysts J. Mol. Cat. A Chem. March 2013
Theoretical studies on the effect of substituent in the proton transfer reaction of 4-substituted pyrazoles, February 2013
The green synthesis of Xanthenedione and Dihydropyrimidone derivatives catalyzed by nano-crystalline solid acid catalysts February 2013
Stereoselective (exo-specific) synthesis, dynamic 1H NMR and quantum chemical conformational and configurational analysis of norbornene-aziridine-E-imidoyl system March 2012
Application of modified clays in diazotization and azo coupling reactions in water February 2012
Synthesis, Crystal Structure and Conformational Studies of Schiff-Base Compound 2-{[4-(Phenyldiazenyl)Phenyl] Iminomethyl}-5-Bromophenol January 2012
Investigation into the regioisomeric composition of some tetrazolopyrimido[4,5- E] [1,3,4] thiadiazines: 1H-NMR studies March 2012
Theoretical Studies on Tautomerism of Imidazole-2-selenone October 2012
Relation between the substituent effect and aromaticity in imidazole derivatives: A comparative study August 2012
A simple and efficient one-pot three-component synthesis of propargylamines using Bismuth (III) chloride July 2012
Theoretical studies on tautomerism of tetrazole 5-thion, October 2011
MP2, DFT and ab initio calculations on thioxanthone October 2011
Linear free energy relationship for the anomeric effect: MP2, DFT and ab initio study of 2-substituted-1,4-dioxanes, March 2011
One-pot Green Synthesis of Pyrrole Derivatives Catalyzed by Nano Sulfated Zirconia as a Solid Acid Catalyst March 2011
Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media June 2011
Simple and Efficient Synthesis of 5-Substituted 1-H-Tetrazoles Using Metal-Modified Clay Catalysts May 2011
Studies on tautomerism in the triazoline dione November 2011
An efficient and one-pot synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles catalyzed via solid acid nano-catalyst, July 2011
Zeolite and sulfated zirconia as catalysts for the synthesis of 5-substituted 1H-tetrazoles via [2+3] cycloaddition of nitriles and sodium azide October 2011
Theoretical Studies of Hydrogen Bond Interactions in 4-Substituted Benzoic Acids Dimers July 2011
Theoretical studies on tautomerism of triazole derivatives in the gas phase and solution 0 February 2010
Synthesis, characterization, crystal structure, and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl)iminomethyl] phenol, October 2010
Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer, July 2010
Theoretical Studies of Hydrogen Bond Interactions in Fluoroacetic Acid Dimer March 2010
Clay-Catalyzed Synthesis of 5-Substituent 1-H-Tetrazoles January 2010
Rapid and efficient diazotization and diazo coupling reactions on silica sulfuric acid under solvent-free conditions April 2009
Spectroscopic, quantum chemical DFT/HF study and synthesis of [2.2.1] hept-2'-en-2'-amino-N-azatricyclo [3.2.1.02,4] octane December 2009
Experimental, CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes January 2009
Theoretical studies on tautomerism of dihydropyrimidine tautomers February 2008
Synthesis, characterization and DFT studies of a novel azo dye derived from racemic or optically active binaphthol August 2008
DFT and Ab initio Study of Structure of Dyes Derived from 2-Hydroxy and 2,4-Dihydroxy benzoic acids April 2008
Asymmetric synthesis with BINOL-Imidoyl Azides April 2008
Synthesis, spectroscopic characterization and DFT calculations on [4-(Sulfonylazide)phenyl]-1-azide April 2008
Density functional theory study of intermolecular interactions of cyclic tetrazole dimers November 2008
DFT, Ab initio and FT-IR Studies of the Structure of Sulfonamide Triazenes February 2008
Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of Biotin Mohammad Emami October 2008
DFT and ab initio calculations of the vibrational frequencies and visible spectra of triazenes derived from cyclic amines January 2007
Theoretical studies on tautomerism in tetrazole derivatives by polarisable continuum method (PCM) February 2007
Diastreoselective formation of 18-membered ring BINOL-hydrogen phosphonate dimmers - Quasi covalent hydrogen bonds? June 2007
Relation between the substituent effect and aromaticity in tetrazoles, protonated tetrazoles and tetrazolate derivatives August 2007
Green and efficient diazotizationand diazocoupling reactions on Clays February 2007
Environmentally friendly efficient synthesis and mechanism of triazenes derived from cyclic amines on clays, HZSM-5 and sulfated zirconia . February 2007
Ab initio and Semiempirical (AM1, PM3) Conformational and Configurational Analysis of N-2-(1,4-dioxane) November 2006
A new family of bis-tetrazole (BIZOL) BINOL-type ligands, July 2006
Dynamic NMR Investigation of Methyl-2,4-dimethoxysalicylate: Effect of Solvent and Temperature on Conformation, Hydrogen bonding, Chemical shift and W Coupling March 2006
Aryloxy Tetrazoles with Axial Chirality: Synthesis and Partial Resolution of 5-(1-(2-Methoxynaphthalen-1-yl)naphthalene-2-yloxy)-1H-tetrazole, January 2006
Density Functional Theory Demonstration of Anomeric Effect and Structure: Conformational and Configurational Analysis of N-2-(1,4-dioxane) June 2005
Benzyltriphenylphosphonumborohydride (BTPPB) as a selective reducing agent for reduction for imines, enamines , and reductive amination of aldehydes April 2001
An efficient and novel method for the synthesis of arylsulfonamides and sulfonic acid esters under solvent-free conditions August 2000
Benzyltriphenylphosphonumtetrahydroborate (BTPPTB) as a selective reducing agent for reduction of aldehydes and ketones to the corresponding alcohols January 2000

تحت نظارت وف ایرانی

Publications | Professor A. Najafi Chermahini

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تحت نظارت وف ایرانی