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Scopus Author ID: 55403020200
ResearcherID: G-1603-2017

Keywords

computational; nano, synthesis; catalyst

Countries

Iran

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Employment (1)

Isfahan University of Technology: Isfahan, Isfahan, IR

2016-07-15 to present | Professor (Department of Chemistry)
Employment
Source: Self-asserted source
Hossein Tavakol

Education and qualifications (3)

Tarbiat Modares University: Tehran, Tehran, IR

2000 to 2004 | PhD (Chemistry)
Education
Source: Self-asserted source
Hossein Tavakol

Tarbiat Modares University: Tehran, Tehran, IR

1998 to 2000 | MSc (chemistry)
Education
Source: Self-asserted source
Hossein Tavakol

University of Isfahan: Isfahan, Isfahan, IR

1994 to 1998 | BSc (Chemistry)
Education
Source: Self-asserted source
Hossein Tavakol

Works (50 of 89)

Items per page:
Page 1 of 2

Retro-aza-Henry-type conversion of β-nitrostyrenes to the related hydrazones using ascorbic acid-functionalized graphene as a catalyst

Journal of the Iranian Chemical Society
2025-03-10 | Journal article
DOI: 10.1007/s13738-025-03194-z
Contributors: Hossein Tavakol; Nabiallah Abdollahi
Source: check_circle
Crossref

MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids

Research on Chemical Intermediates
2023-07 | Journal article
DOI: 10.1007/s11164-023-05031-5
Contributors: Zahrasadat Emami-Meibodi; Hossein Tavakol; Kiamars Eskandari
Source: check_circle
Crossref

Electrochemical co-deposition of cobalt and graphene, produced from recycled polypropylene, on TiO2 nanotube as a new catalyst for photoelectrochemical water splitting

International Journal of Hydrogen Energy
2023-01 | Journal article
DOI: 10.1016/j.ijhydene.2022.10.145
Contributors: Mahnaz Darrudi; Hossein Tavakol; Mohamad Mohsen Momeni
Source: check_circle
Crossref

Phosphorous‐modified Porous Carbon Supported Nickel Nanoparticles as a Catalyst for the Reduction of Nitroaromatics in Water

ChemistrySelect
2022-09-27 | Journal article
DOI: 10.1002/slct.202200391
Contributors: Hossein Tavakol; Behnam Abedi
Source: check_circle
Crossref

Nitrogen-modified graphene as a metal-free carbocatalyst for the solvent-free oxidative homo- and heterocoupling of amines

Journal of the Iranian Chemical Society
2022-05 | Journal article
DOI: 10.1007/s13738-021-02434-2
Contributors: Hossein Tavakol; Alireza Ganbari
Source: check_circle
Crossref

Synthesis of Ag/CoFe2O4 magnetic aerogel for catalytic reduction of nitroaromatics

Results in Chemistry
2022-01 | Journal article
DOI: 10.1016/j.rechem.2022.100592
Contributors: Fatemeh Sadegh; Hossein Tavakol
Source: check_circle
Crossref

CuI‐catalyzed, one‐pot synthesis of 3‐aminobenzofurans in deep eutectic solvents

Applied Organometallic Chemistry
2021-12 | Journal article
DOI: 10.1002/aoc.6433
Contributors: Bahareh Abtahi; Hossein Tavakol
Source: check_circle
Crossref

A DFT Study on the Interaction of Doped Carbon Nanotubes with H<sub>2</sub>S, SO<sub>2</sub> and Thiophene

Quantum Reports
2021-07 | Journal article | Author
DOI: 10.3390/quantum3030023
Contributors: Hossein Tavakol; Hamed Haghshenas
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Low‐temperature preparation and photoelectrochemical properties of TiO2 nanotubes‐graphene‐CNT hybrid structure

Environmental Progress & Sustainable Energy
2021-07 | Journal article
DOI: 10.1002/ep.13613
Contributors: Hossein Tavakol; Mohamad Mohsen Momeni; Baset Mohammadi
Source: check_circle
Crossref

Developing a variation of 3D‐QSAR/MD method in drug design

Journal of Computational Chemistry
2021-05-15 | Journal article
DOI: 10.1002/jcc.26514
Contributors: Hamed Haghshenas; Bita Kaviani; Monireh Firouzeh; Hossein Tavakol
Source: check_circle
Crossref

Catalyst-Free Synthesis of Benzofuran Derivatives from Cascade Reactions between Nitroepoxides and Salicylaldehydes

The Journal of Organic Chemistry
2021-03-19 | Journal article
DOI: 10.1021/acs.joc.1c00143
Contributors: Mohammad A. Ranjbari; Hossein Tavakol
Source: check_circle
Crossref

One‐Pot Synthesis of Hantzsch 1,4‐Dihydropyridines by a Series of Iron Oxide Nanoparticles: Putative Synthetic TRPV6 Calcium Channel Blockers

ChemistrySelect
2021-03-05 | Journal article
DOI: 10.1002/slct.202004390
Contributors: Mohammad T. Jafari‐Chermahini; Hossein Tavakol
Source: check_circle
Crossref

Regioselective and solvent-free arylation of β-nitrostyrenes with mono- and dialkyl anilines

Research on Chemical Intermediates
2021-02 | Journal article
DOI: 10.1007/s11164-020-04294-6
Contributors: Mohammad A. Ranjbari; Hossein Tavakol; Meghmik Manoukian
Source: check_circle
Crossref

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

SN Applied Sciences
2020-12 | Journal article
DOI: 10.1007/s42452-020-03789-6
Contributors: Hossein Tavakol; Sina Salimpour; Willi Salvenmoser
Source: check_circle
Crossref

Choline chloride‐urea deep eutectic solvent as an efficient media for the synthesis of propargylamines via organocuprate intermediate

Applied Organometallic Chemistry
2020-11 | Journal article
DOI: 10.1002/aoc.5895
Contributors: Bahareh Abtahi; Hossein Tavakol
Source: check_circle
Crossref

A DFT study on the interaction of doped carbon nanotubes with H2S, SO2 and thiophene

2020-11-17 | Preprint
DOI: 10.22541/au.160560193.38826154/v1
Contributors: Hossein Tavakol; Hamed Haghshenas
Source: check_circle
Crossref

Conversion of β‐Nitrostyrenes to Naphthofurans via a Cascade Reaction with α‐ and β‐Naphthols

ChemistrySelect
2020-10-29 | Journal article
DOI: 10.1002/slct.202003442
Contributors: Bahareh Abtahi; Hossein Tavakol
Source: check_circle
Crossref

Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur‐doped carbon nanotubes in sensing of carbon monoxide

International Journal of Quantum Chemistry
2020-06-15 | Journal article
DOI: 10.1002/qua.26214
Contributors: Hossein Tavakol; Fahimeh Hassani; Dana Shahabi
Source: check_circle
Crossref

Oil removal from water using highly hydrophobic, ultralight carbon microspheres

International Journal of Environmental Science and Technology
2020-03 | Journal article
DOI: 10.1007/s13762-019-02495-0
Contributors: P. Bakhshi; H. Tavakol
Source: check_circle
Crossref

Synthesis of α-cyano hydroxylamines via three-component reactions and its computational mechanistic study

Reaction Kinetics, Mechanisms and Catalysis
2020-02 | Journal article
DOI: 10.1007/s11144-019-01688-5
Contributors: Mohammad A. Ranjbari; Hossein Tavakol
Source: check_circle
Crossref

Theoretical calculation of simple and doped CNTs with the potential adsorption of various ions for water desalination technologies

Structural Chemistry
2020-02 | Journal article
DOI: 10.1007/s11224-019-01420-y
Contributors: Hossein Tavakol; Dana Shahabi; Fariba Keshavarzipour; Fatemeh Hashemi
Source: check_circle
Crossref

AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study

The Journal of Physical Chemistry B
2020-02-06 | Journal article
DOI: 10.1021/acs.jpcb.9b10739
Contributors: Hamed Haghshenas; Hossein Tavakol; Bita Kaviani; Gholamhossein Mohammadnezhad
Source: check_circle
Crossref

Sulfur doped carbon porous as an efficient catalyst for sustainable energy processes

Environmental Progress & Sustainable Energy
2020-01 | Journal article
DOI: 10.1002/ep.13299
Contributors: Hossein Tavakol; Fahimeh Hassani
Source: check_circle
Crossref

Sulfur–doped Graphene as an Efficient Metal–free Carbocatalyst for the Synthesis of 1,5–Benzodiazepines Derivatives

ChemistrySelect
2020-01-23 | Journal article
DOI: 10.1002/slct.201904310
Contributors: Mohammad Taqi Jafari‐Chermahini; Hossein Tavakol; Willi Salvenmoser
Source: check_circle
Crossref

Mechanistic details for the reaction of methyl acrylate radical anion: a DFT study

Reaction Kinetics, Mechanisms and Catalysis
2019-12 | Journal article
DOI: 10.1007/s11144-019-01647-0
Contributors: Hossein Tavakol; Mohammad A. Ranjbari; Mohammad Taqi Jafari-Chermahini
Source: check_circle
Crossref

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 calf thymus-DNA and bovine serum albumin

Journal of Biomolecular Structure and Dynamics
2019-09-22 | Journal article
DOI: 10.1080/07391102.2018.1527724
Contributors: Mahboubeh Hosseini-Kharat; Rahmatollah Rahimi; Davit Zargarian; Zohreh Mehri Lighvan; Amir Abbas Momtazi-Borojeni; Tayebeh Sharifi; Elham Abdollahi; Hossein Tavakol; Tecush Mohammadi
Source: check_circle
Crossref

DFT study on the mechanistic details of the hydrolysis of dicyan using acetaldehyde as the first organocatalyst

Computational and Theoretical Chemistry
2019-04 | Journal article
DOI: 10.1016/j.comptc.2019.03.014
Contributors: Hossein Tavakol; Mohammad A. Ranjbari; Amir Mahmoudi
Source: check_circle
Crossref

Synthesis Of di- and tri-substituted thiourea derivatives in water using choline chloride–urea catalyst

Journal of Sulfur Chemistry
2019-03-04 | Journal article
DOI: 10.1080/17415993.2018.1533014
Contributors: Hossein Tavakol; Amir Mahmoudi; Mohammad-Amin Ranjbari
Source: check_circle
Crossref

Immobilized Gelatin–λ–Carrageenan on Magnetite Nanoparticles as an Efficient Organocatalyst for Enantioselective Biginelli Reaction

ChemistrySelect
2019-02-14 | Journal article
DOI: 10.1002/slct.201803986
Contributors: Mohammad Taqi Jafari‐Chermahini; Hossein Tavakol
Source: check_circle
Crossref

Synthesis of Si‐Doped CNT and Its Catalytic Ability in Hydrogen Evolution Reaction

ChemistrySelect
2019-01-17 | Journal article
DOI: 10.1002/slct.201803230
Contributors: Pourya Bakhshi; Hossein Tavakol
Source: check_circle
Crossref

Synthesis of highly uniform sulfur-doped carbon sphere using CVD method and its application for cationic dye removal in comparison with undoped product

Journal of Environmental Chemical Engineering
2018-12 | Journal article
DOI: 10.1016/j.jece.2018.10.026
Contributors: Meghmik Manoukian; Hossein Tavakol; Hossein Fashandi
Source: check_circle
Crossref

Synthesis of multi-walled phosphorus and sulfur co-doped CNTs

Fullerenes, Nanotubes and Carbon Nanostructures
2018-11-02 | Journal article
DOI: 10.1080/1536383X.2018.1484731
Contributors: Hossein Tavakol; Fatemeh Mohammadi
Source: check_circle
Crossref

Synthesis of sulfur-doped carbon nanotubes from sulfur powder using chemical vapor deposition

Fullerenes, Nanotubes and Carbon Nanostructures
2018-08-03 | Journal article
DOI: 10.1080/1536383X.2018.1448793
Contributors: Fahimeh Hassani; Hossein Tavakol
Source: check_circle
Crossref

Theoretical study of the possible mechanisms for the synthesis of dialkyl thiourea from dithiocarbamate

Heteroatom Chemistry
2018-05 | Journal article
DOI: 10.1002/hc.21421
Contributors: Mohammad A. Ranjbari; Hossein Tavakol
Source: check_circle
Crossref

Synthesis of phosphorus doped carbon nanotubes using chemical vapor deposition

Fullerenes, Nanotubes and Carbon Nanostructures
2018-04-03 | Journal article
DOI: 10.1080/1536383X.2018.1428567
Contributors: Fatemeh Mohammadi; Hossein Tavakol
Source: check_circle
Crossref

A DFT study on the catalytic ability of aluminum doped graphene for the initial steps of the conversion of methanol to gasoline

Computational and Theoretical Chemistry
2018-03 | Journal article
DOI: 10.1016/j.comptc.2018.02.001
Contributors: Dana Shahabi; Hossein Tavakol
Source: check_circle
Crossref

Preparation of choline chloride–urea deep eutectic solvent‐modified magnetic nanoparticles for synthesis of various 2‐amino‐4H‐pyran derivatives in water solution

Applied Organometallic Chemistry
2017-11 | Journal article
DOI: 10.1002/aoc.3811
Contributors: Hossein Tavakol; Fariba Keshavarzipour
Source: check_circle
Crossref

Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase

Journal of Biomolecular Structure and Dynamics
2016 | Journal article
DOI: 10.1080/07391102.2015.1039585
EID:

2-s2.0-84940565603
Contributors: Haghshenas, H.; Kay, M.; Dehghanian, F.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

The synthesis of coumarin derivatives using choline chloride/zinc chloride as a deep eutectic solvent

Journal of the Iranian Chemical Society
2016 | Journal article
DOI: 10.1007/s13738-015-0722-9
EID:

2-s2.0-84952836709
Contributors: Keshavarzipour, F.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

A DFT study of inter- and intramolecular proton transfer in 2-selenobarbituric acid tautomers

Structural Chemistry
2015 | Journal article
DOI: 10.1007/s11224-015-0567-y
EID:

2-s2.0-84937974744
Contributors: Tavakol, H.; Keshavarzipour, F.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

Adsorption of molecular iodine on the surface of sulfur-doped carbon nanotubes: Theoretical study on their interactions, sensor properties, and other applications

Structural Chemistry
2015 | Journal article
DOI: 10.1007/s11224-014-0476-5
EID:

2-s2.0-84925945061
Contributors: Tavakol, H.; Hassani, F.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

An exceptional functionalization of doped fullerene observed via theoretical studies on the interactions of sulfur-doped fullerenes with halogens and halides

RSC Advances
2015 | Journal article
DOI: 10.1039/c5ra08141f
EID:

2-s2.0-84933556087
Contributors: Saadat, K.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

Deep Eutectic Solvent as a Recyclable Catalyst for Three-Component Synthesis of β-Amino Carbonyls

Catalysis Letters
2015 | Journal article
DOI: 10.1007/s10562-014-1471-6
EID:

2-s2.0-84930646840
Contributors: Keshavarzipour, F.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

DFT Study of the effects of counter ions on bonding, molecular and spectral properties of pentaflourophenyl xenonium diflouride cation

Journal of Chemical Sciences
2015 | Journal article
DOI: 10.1007/s12039-015-0934-7
EID:

2-s2.0-84947903729
Contributors: Tavakol, H.; Khedri, N.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

DFT, QTAIM, and NBO study of adsorption of rare gases into and on the surface of sulfur-doped, single-wall carbon nanotubes

Journal of Physical Chemistry C
2015 | Journal article
DOI: 10.1021/jp510508y
EID:

2-s2.0-84925964722
Contributors: Tavakol, H.; Shahabi, D.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

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 calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
2015 | Journal article
DOI: 10.1016/j.saa.2015.01.027
EID:

2-s2.0-84922269531
Contributors: Tabrizi, L.; Chiniforoshan, H.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

Palladium complexes with 3-phenylpropylamine ligands: Synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as heterogeneous catalysts

RSC Advances
2015 | Journal article
DOI: 10.1039/c5ra17249g
EID:

2-s2.0-84948781567
Contributors: Karami, K.; Naeini, N.H.; Eigner, V.; Dusek, M.; Lipkowski, J.; Hervés, P.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

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

Journal of Molecular Structure
2015 | Journal article
DOI: 10.1016/j.molstruc.2014.10.027
EID:

2-s2.0-84910045196
Contributors: Chiniforoshan, H.; Radani, Z.S.; Tabrizi, L.; Tavakol, H.; Sabzalian, M.R.; Mohammadnezhad, G.; Görls, H.; Plass, W.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

Study of noncovalent interactions of end-caped sulfur-doped carbon nanotubes using DFT, QTAIM, NBO and NCI calculations

Structural Chemistry
2015 | Journal article
DOI: 10.1007/s11224-015-0616-6
EID:

2-s2.0-84936797682
Contributors: Saadat, K.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier

A DFT, AIM and NBO study of adsorption and chemical sensing of iodine by S-doped fullerenes

Sensors and Actuators, B: Chemical
2014 | Journal article
DOI: 10.1016/j.snb.2014.02.051
EID:

2-s2.0-84896523510
Contributors: Hassani, F.; Tavakol, H.
Source: Self-asserted source
Hossein Tavakol via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (64 reviews for 20 publications/grants)

Review activity for ACS applied nano materials. (6)
Review activity for ACS combinatorial science. (1)
Review activity for ACS omega. (11)
Review activity for ACS sustainable chemistry & engineering. (1)
Review activity for Advanced theory and simulations. (1)
Review activity for Case studies in thermal engineering. (1)
Review activity for ChemCatChem (1)
Review activity for Chemické zvesti. (1)
Review activity for ChemistrySelect (1)
Review activity for Computational and theoretical chemistry. (2)
Review activity for Industrial & engineering chemistry research. (1)
Review activity for Journal of alloys and compounds. (2)
Review activity for Journal of electronic materials. (1)
Review activity for Journal of molecular liquids. (1)
Review activity for Journal of physical chemistry. (2)
Review activity for Journal of the Iranian Chemical Society. (25)
Review activity for Organometallics. (1)
Review activity for Reaction kinetics and catalysis letters. (2)
Review activity for Results in chemistry. (1)
Review activity for The journal of physical chemistry. (2)
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