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Davood Farmanzadeh

Davood Farmanzadeh

Academic rank: Professor
ORCID:
Education: PhD.
ScopusId:
Faculty: Faculty of Chemistry
Address:
Phone: 01135302382
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Education

  • PhD. in (2002 - 2006)
    Thesis title:
  • MSc. in (1993 - 1995)
    Thesis title:
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Courses

Bachelor Of Science

Research activities

Journal Papers
Enhancing the drug delivery efficacy of nanodiamond (C20H22): A DFT-based study of doxorubicin and melphalan interaction on pristine and doped surfaces Roudabeh Mohsseni Ahangar, Davood Farmanzadeh (2024)
Effects of hexagonal boron nitride encapsulation on the electronic properties of Cu, Li, and O-doped black phosphorus monolayer Roudabeh Mohsseni Ahangar, Davood Farmanzadeh (2023)
Theoretical study for exploring the adsorption behavior of aniline and phenol on pristine and Cu-doped phosphorene surface Roudabeh Mohsseni Ahangar, Davood Farmanzadeh (2023)
O-doping effects on the adsorption and detection of acetaldehyde and ethylene oxide on phosphorene monolayer: A DFT investigation Roudabeh Mohsseni Ahangar, Davood Farmanzadeh (2023)
Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalysts Masoomeh Keyhanian, Davood Farmanzadeh, Angel Morales-Garcia, Francesc Illas (2022)
Boosting adsorption ability of toluene, phenol, and aniline pollutants in B38 borofullerene via doping process Masoomeh Keyhanian, Davood Farmanzadeh (2022)
Mechanism of ethanol steam reforming on B12N12 and Al12N12 nano-cages: A theoretical study Fatemeh Mamusi, Davood Farmanzadeh (2022)
Solvent effect on the methanol oxidation mechanism on B24N24 nano-cage surface: A DFT-D study Fatemeh Mamusi, Davood Farmanzadeh (2021)
Theoretical study of methanol activation catalyzed by B11N11 and B14N14 nano-cages Davood Farmanzadeh, Fatemeh Mamusi (2021)
Yttrium doped graphene oxide as a new adsorbent for H2O, CO, and ethylene molecules: Dispersion-corrected DFT calculations Leila Tabari, Davood Farmanzadeh (2020)
The role of Mn and Fe transition metal atoms mediation on the aniline adsorption by B40 fullerene: A computational investigation Masoomeh Keyhanian, Davood Farmanzadeh (2019)
DFT investigation of metal doped graphene capacity for adsorbing of ozone, nitrogen dioxide and sulfur dioxide molecules Nastaran askari, Davood Farmanzadeh (2019)
Interesting adsorption behavior of C60O fullerene oxide isomers toward O3and CO molecules: A DFT study Leila Tabari, Davood Farmanzadeh (2019)
Computational assessment on the interaction of amantadine drug with B12N12 and Zn12O12 nanocages and improvement in adsorption behaviors by impurity Al doping Davood Farmanzadeh, Masoomeh Keyhanian (2019)
Pure and M-doped (M=Zn, Cu, Ni, Co) cadmium oxide anosheets, novel adsorbents for the adsorption of ethyl benzene and ortho, meta, para xylene: a theoretical study Davood Farmanzadeh, Azadeh Valipour (2019)
Adsorption of O3, SO2 and NO2 molecules on the surface of pure and Fedoped silicon carbide nanosheets: A computational study Davood Farmanzadeh, Nastaran askari (2018)
Tuning the spin transport properties of ferrocene-based single molecule junctions by different linkers Roghayeh Farzadi, Hossain Milani Moghaddam, Davood Farmanzadeh (2018)
Adsorption of benzene and toluene molecules on surface of pure and doped cadmium oxide nanosheets: A computational investigation Davood Farmanzadeh, Azadeh Valipour (2018)
Theoretical study of ozone adsorption on the surface of Fe, Co and Ni doped boron nitride nanosheets Davood Farmanzadeh, Nastaran askari (2018)
Selective hydrogenation of acetylene in the presence of ethylene on palladium nanocluster surfaces: A DFT study Tahereh Abdollahi, Davood Farmanzadeh (2018)
Activity and selectivity of Ni nanoclusters in the selective hydrogenation of acetylene: A computational investigation Tahereh Abdollahi, Davood Farmanzadeh (2018)
H 2 adsorption on free and graphene-supported Ni nanoclusters: A theoretical study Davood Farmanzadeh, Tahereh Abdollahi (2018)
Graphene-supported Cu11 nanocluster as a candidate catalyst for the selective hydrogenation of acetylene: A density functional study Tahereh Abdollahi, Davood Farmanzadeh (2018)
A computational study of PAMAM dendrimer interaction with transisomer of picoplatin anticancer drug Davood Farmanzadeh, Mahsa Ghaderi (2018)
Investigating the reaction pathways of chemical functionalization of C20 fullerene by nitrile oxide and azide; A computational study Sakineh Asghari, Ali Asghar Gouran, Davood Farmanzadeh, Tahereh Abdollahi (2018)
Effect of Ni addition on electrocatalytic activity of PdCu catalysts for ethanol electrooxidation: An experimental and theoretical study Hussein Rostami, Tahereh Abdollahi, Parisa Mehdipour, Abbasali Rostami, Davood Farmanzadeh (2017)
The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study Davood Farmanzadeh, Hamid Rezainejad (2017)
Excess properties and spectroscopic studies for a binary system of polyethylene glycol 200 and N-methyl-2-pyrrolidone at different temperatures Hamed kiaee, Abbasali Rostami, Davood Farmanzadeh (2017)
Glycyrrhizic acid and its salts as antioxidant; A computational investigation Davood Farmanzadeh, Leila Tabari (2017)
Characterization of the fullerene end-functionalized ZnO nanotube: A computational study Davood Farmanzadeh, Leila Tabari (2016)
A model for the ethylene and acetylene adsorption on the surface ofCun(n = 10–15) nanoclusters: A theoretical study Davood Farmanzadeh, Tahereh Abdollahi (2016)
DFT Study of Adsorption of Diazinon, Hinosan, Chlorpyrifos and Parathion Pesticides on the Surface of B36N36 Nanocage and Its Fe Doped Derivatives as New Adsorbents Davood Farmanzadeh, Hamid Rezainejad (2016)
Novel Trolox derivatives as antioxidants: A DFT investigation Davood Farmanzadeh, Meysam Najafi (2016)
Adsorption of diazinon and hinosan molecules on the iron-dopedboron nitride nanotubes surface in gas phase and aqueous solution:A computational study Davood Farmanzadeh, Hamid Rezainejad (2016)
Investigation on the chemical active sites of copper nanoclusters as nanocatalyst for the adsorption of acetylene: calibration of DFT method and basis set Davood Farmanzadeh, Tahereh Abdollahi (2016)
Theoretical study of the geometry and electronic structure of the trinuclear [AunAgm (HNCOH)3] (m+n=3) complex Davood Farmanzadeh, Tahereh Abdollahi, Marayam Jafari (2016)
Theo retical stud y of FeB 35þ n N 36¡ n ð n = 0 ; 1 Þ nanoc ages; Che mical rea ctivity descriptor s Davood Farmanzadeh, Hamid Rezainejad (2015)
Benzimidazole derivatives as anticancer drugs: A theoretical investigation Davood Farmanzadeh, Meysam Najafi (2015)
Molecular structure and nitrite-bonded study in copper(II) complexes of N,N-dialkyl,N′-benzyl-ethylenediamine; synthesis, spectroscopic characterization, X-ray structure, steric effect and density functional theory calculations Hamid Golchoubian, Zeynab Khazaee, Ehsan Rezaee, Golasa Moayyedi, Davood Farmanzadeh (2015)
DFT study of adsorption of picric acid molecule on the surface of single-walled ZnO nanotube; as potential new chemical sensor Davood Farmanzadeh, Leila Tabari (2015)
Theoretical study of anticancer properties of indolyl-oxazole drugs and their interactions with DNA base pairs in gas phase and solvent Davood Farmanzadeh, Meysam Najafi (2014)
BNNTs under the influence of external electric field as potential new drug delivery vehicle of Glu, Lys, Gly and Ser amino acids: A first-principles study Davood Farmanzadeh, Samereh Ghazanfary (2014)
Interaction of vitamins A, B1, C, B3 and D with zigzag and armchair boron nitride nanotubes: A DFT study Davood Farmanzadeh, Samereh Ghazanfary (2014)
First-principles investigation of the electronic and field emission properties of C-doped ZnO nanotube Davood Farmanzadeh, Leila Tabari (2014)
Electric field effects on the adsorption of formaldehyde molecule on the ZnO nanotube surface: A theoretical investigation Davood Farmanzadeh, Leila Tabari (2014)
Interaction of vitamins B3 and C and their radicals with (5, 0) single-walled boron nitride nanotube for use as biosensor or in drug delivery Davood Farmanzadeh, Samereh Ghazanfary (2013)
On the Antioxidant Activity of the Tryptophan Derivatives Davood Farmanzadeh, Meysam Najafi (2013)
ANTIOXIDANT ACTIVITY OF AMINOTHIAZOL HYDROXYCOUMARIN DERIVATIVES Davood Farmanzadeh, Meysam Najafi (2013)
MANIPULATING PERFORMANCE OF A MOLECULAR WIRE WITH CHEMICAL MODIFICATION AND EXTERNAL ELECTRIC FIELD Davood Farmanzadeh, Zeinab Ashtiani (2013)
An ab initio study of the ground and excited states of mercaptoacetic acid-capped silicon quantum dots Davood Farmanzadeh, Leila Tabari (2013)
Investigation of keto–enol tautomerism in tetraketonate ligands Hamid Golchoubian, Ehsan Rezaee, Davood Farmanzadeh (2013)
DFT studies of functionalized zigzag and armchair boron nitride nanotubes as nanovectors for drug delivery of collagen amino acids Davood Farmanzadeh, Samereh Ghazanfary (2013)
A Theoretical Study on the Enthalpies of Homolytic and Heterolytic N–H Bond Cleavage in Substituted Melatonins in the Gas–Phase and Aqueous Solution Meysam Najafi, Davood Farmanzadeh, Erik Klein, Mansour Zahedi (2013)
Synthesis of copper (II) complexes incorporating N,N-dimethyl-N0-benzylethylenediamine and NCX (X = O, S and Se) ligands: A combined crystallographic, spectroscopic and DFT study Hamid Golchoubian, Sara Kohzad, Maedeh Ramzani, Davood Farmanzadeh (2013)
The effect of electric field on interaction of glycine with (6,0) single-walled boron nitride nanotube Davood Farmanzadeh, Samereh Ghazanfary (2013)
DFT Study of the Geometrical and Electronic Structures of Geminal Dicationic Ionic Liquids 1,3-Bis[3-methylimidazolium-1-yl]hexane Halides Davood Farmanzadeh, Azim Soltanabadi, Saeid Yeganegi (2013)
Molecular Dynamic Simulation of Dicationic Ionic Liquids: Effects of Anions and Alkyl Chain Length on Liquid Structure and Diffusion Saeid Yeganegi, Azim Soltanabadi, Davood Farmanzadeh (2012)
Single-wall Boron Nitride Nanotube with Various Diameters under the Influence of Electric Field, A Computational Investigation Davood Farmanzadeh, Samereh Ghazanfary (2012)
DENSITY FUNCTIONAL THEORY STUDY ON THE SINGLE-WALL BORON NITRIDE NANOTUBE, WITH VARIOUS LENGTHS UNDER THE INFLUENCE OF EXTERNAL ELECTRICAL FIELD Davood Farmanzadeh, Samereh Ghazanfary (2011)
Theoretical study of a conjugated aromatic molecular wire Davood Farmanzadeh, Zeinab Ashtiani (2010)
First principle electric field response of single-walled boron nitride nanotube: a case study of zigzag (4,0) model Davood Farmanzadeh, Samereh Ghazanfary (2009)
Electric Field Dependence of (4, 0) Zigzag Model Single-Walled Carbon Nanotube Davood Farmanzadeh, Abolfazl Amirazami (2009)
Characterization of a candidate multi-pole molecular switch using computational techniques Davood Farmanzadeh, Hassan Sabzyan (2008)
Electric field effects on the performance of a candidate multipole molecular switch: A quantum computational study Hassan Sabzyan, Davood Farmanzadeh (2007)
Conference Papers
Theoretical study of adsorption of trichloroethylene on the surface of beryllium oxide nanotubes Nasibeh Tavakoli, Davood Farmanzadeh (2019)
The adsorption behaviors of phenol on the surfaces of pristine and M-encapsulated B38 borofullerene Masoomeh Keyhanian, Davood Farmanzadeh (2019)
A theoretical investigation on interaction of deposited B38 borofullerene on bowl-shaped B36 cluster Masoomeh Keyhanian, Davood Farmanzadeh (2019)
The Adsorption Investigation of Benzene and Toluene Molecules on Pure and M-doped (M= Zn, Cu, Ni, Co) Cadmium Oxide Nanosheets Davood Farmanzadeh, Azadeh Valipour (2018)
The Adsorption Study of Ethyl Benzene and Xylene Isomers on Pure and Doped Cadmium Oxide Nanosheets by DFT Davood Farmanzadeh, Azadeh Valipour (2018)
Effects of Al and Ga doping of B12N12 nanocage on sensitivityand adsorption of amantadine drug in gas phase and water media Davood Farmanzadeh, Masoomeh Keyhanian (2018)
A computational study of aniline adsorption on pure and doped surfaces of B40 borospherene Davood Farmanzadeh, Masoomeh Keyhanian (2018)
DFT Electron Transport Study of ferrocene molecule along with thiol and amine anchors Roghayeh Farzadi, Hossain Milani Moghaddam, Davood Farmanzadeh (2018)
Adsorption of Baclofen drug on Silicon Carbide nanotube as a new drug delivery system: A theoretical study Davood Farmanzadeh, Haniye Badelia, Leila Tabari (2017)
THEORETICAL STUDY ON THE GROWTH PATTERN OF COPPER NANOCLUSTERS Davood Farmanzadeh, Tahereh Abdollahi (2016)
EXCESS MOLAR VOLUME MEASUREMENTS AND SPECTROSCOPIC STUDIES FOR A BINARY SYSTEM OF POLYETHYLENE GLYCOL 200 AND N-METHYL-2-PYRROLIDONE AT DIFFERENT TEMPERATURES Hamed kiaee, Abbasali Rostami, Davood Farmanzadeh (2016)
SELECTION OF AN APPROPRIATE COMPUTATIONAL METHOD FOR THE PREDICTION OF ELECTRONIC PROPERTIES OF COPPER NANOCLUSTERS Davood Farmanzadeh, Tahereh Abdollahi (2016)
DFT STUDY OF ELECTRONIC AND STRUCTURE PROPERTIES OF SILICON NANOWIRE INSIDE OF CARBON NANOTUBE Davood Farmanzadeh, Nastaran askari (2016)
ADSORPTION OF LOMUSTINE ANTICANCER DRUGS WITH FAUJASITE NANOZEOLITE: A DFT STUDY Davood Farmanzadeh, Marzieh Hemmati Saravi, Tahereh Abdollahi (2016)
THEORETICAL STUDY OF INTERACTION OF CARMUSTINE ANTICANCER DRUGS WITH FAUJASITENANOZEOLITE Davood Farmanzadeh, Marzieh Hemmati Saravi, Tahereh Abdollahi (2016)
DFT STUDY OF THE INTERACTION OF THIOGUANINE ANTICANCER DRUG WITH ZSM-5 ZEOLITE AS A DRUG CARRIER Davood Farmanzadeh, Khadyjeh Mehdinia, Tahereh Abdollahi (2016)
INTERACTION OF CHLORAMBUCILANTICANCER DRUG WITH ZSM-5 ZEOLITE; ATHEORETICAL STUDY Davood Farmanzadeh, Khadyjeh Mehdinia, Tahereh Abdollahi (2016)
Effects of functionalized (8, 0) and (10, 0) BNNTs with amine groups (NH2, NH and N) on Hydrogen Sulfide Adsorption, A Theoretical Study Davood Farmanzadeh, Somayeh Darzi (2015)
Methoxychlor pesticide interaction with chlorographene nanosheet surface; a theoretical investigation Davood Farmanzadeh, Sima Godazi, Tahereh Abdollahi (2015)
Quantum mechanical study of interaction of dicofol pesticide with graphene nanosheet Davood Farmanzadeh, Sima Godazi, Tahereh Abdollahi (2015)
Hydrogen Sulfide Adsorption on (8, 0) and (10, 0) Single Walled Boron Nitride Nanotubes: A DFT Study Davood Farmanzadeh, Somayeh Darzi (2015)
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