Z. Bagheri

发表

Detection of phosgene by Sc-doped BN nanotubes: A DFT study

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Electronic, Energetic, and Geometric Properties of Methylene-Functionalized C60

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013, Journal of Cluster Science.

Selective function of Al12N12 nano-cage towards NO and CO molecules

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

A DFT Study on CO 2 Interaction with a BN Nano-Cage

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2012 .

Interaction of small molecules (NO, H2, N2, and CH4) with BN nanocluster surface

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Structural Chemistry.

A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012, Journal of Molecular Modeling.

Arsenic interactions with a fullerene-like BN cage in the vacuum and aqueous phase

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

Z. Bagheri, N. Hadipour, Mohammad Kamfiroozi, 2012 .

Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

A. A. Peyghan, Z. Bagheri, N. Hadipour, 2013 .

Formaldehyde adsorption on the interior and exterior surfaces of CN nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Structural Chemistry.

Li interactions with the B 40 fullerene and its application in Li-ion batteries: DFT studies

Z. Bagheri, M. Moradi, A. Bodaghi, 2017 .

DFT study on the chemical sensitivity of C3N nanotubes toward acetone

Z. Bagheri, 2016 .

DFT study on the functionalization of a BN nanotube with sulfamide

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

A density functional theory study on acetylene-functionalized BN nanotubes

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013, Structural Chemistry.

First Principles Study on Encapsulation of Alkali Metals into ZnO Nanocage

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2012 .

Cation-π interaction of alkali metal ions with C24 fullerene: a DFT study

A. A. Peyghan, Z. Bagheri, M. Moradi, 2012, Journal of Molecular Modeling.

Covalent functionalization of AlN nanotubes with acetylene

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013 .

First principles study of H2O and NH3 adsorption on the pristine and B-doped Al12N12 nanocluster

A. A. Peyghan, Z. Bagheri, H. Soleymanabadi, 2015 .

Tuning the electronic properties of C30B15N15 fullerene via encapsulation of alkali and alkali earth metals

A. A. Peyghan, Z. Bagheri, M. Moradi, 2013 .

B-doping makes the carbon nanocones sensitive towards NO molecules

A. A. Peyghan, Z. Bagheri, M. B. Tabar, 2012 .

Functionalization of [60] fullerene with butadienes: A DFT study

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

B24N24 fullerene as a carrier for 5-fluorouracil anti-cancer drug delivery: DFT studies.

Z. Bagheri, Mehrnoosh Khodam Hazrati, Z. Javanshir, 2017, Journal of molecular graphics & modelling.

Carbon nanocone as an ammonia sensor: DFT studies

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013, Structural Chemistry.

Application of C 30 B 15 N 15 heterofullerene in the isoniazid drug delivery: DFT studies

Z. Bagheri, Mehrnoosh Khodam Hazrati, A. Bodaghi, 2017 .

Exohedral and endohedral adsorption of alkaline earth cations in BN nanocluster

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Nitrous oxide adsorption on pristine and Si-doped AlN nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Adsorption and dissociation of nitrous oxide on pristine and defective BeO and ZnO nanotubes: DFT studies

Z. Bagheri, H. Soleymanabadi, M. Nayebzadeh, 2014, Monatshefte für Chemie - Chemical Monthly.

AlN nanotube as a potential electronic sensor for nitrogen dioxide

Javad Beheshtian, Mohammad T. Baei, Zargham Bagheri, 2012, Microelectron. J..

Quantum chemical study of fluorinated AlN nano-cage

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Theoretical study of carbonyl sulfide adsorption on Ag-doped SiC nanotubes

A. A. Peyghan, Z. Bagheri, H. Soleymanabadi, 2015, Journal of the Iranian Chemical Society.

Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes

Mohammad Bigdeli Tabar, Javad Beheshtian, Zargham Bagheri, 2014, Structural Chemistry.

DFT study of the dissociative adsorption of HF on an AlN nanotube

M. Noei, A. A. Peyghan, Z. Bagheri, 2013 .

A computational study of AlN nanotube as an oxygen detector

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2012 .

Functionalization of the pristine and stone-wales defected BC3 graphenes with pyrene

M. Noei, A. A. Peyghan, Z. Bagheri, 2014, Journal of Molecular Modeling.

Electronic response of BC3 nanotube to CS2 molecules: DFT studies

A. A. Peyghan, Z. Bagheri, 2013 .

The Alkali Metal Interactions with MgO Nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Toxic CO detection by B12N12 nanocluster

Javad Beheshtian, Zargham Bagheri, Ali Ahmadi Peyghan, 2011, Microelectron. J..

Computational study of CO and NO adsorption on magnesium oxide nanotubes

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2011 .

Theoretical study of hydrogen adsorption on the B12P12 fullerene-like nanocluster

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012 .

Density Functional Theory Study of Boron Nitride Nanotubes: Calculations of the N-14 and B-11 Nuclear Quadrupole Resonance Parameters

M. Abolhassani, Z. Bagheri, N. Hadipour, 2008 .

Geometry-controlled carbon nanostructures as effective drug delivery carriers for MAO enzyme inhibitors: A DFT study

Z. Bagheri, M. Karimkhani, S. Mansouri, 2021, Journal of Molecular Liquids.

Physisorption to chemisorption transition of H2S on carbon nanocone induced by decoration of Be2O2 cluster

Z. Bagheri, Somayeh F. Rastegar, H. Soleymanabadi, 2015, Journal of the Iranian Chemical Society.

A DFT study on the functionalization of a BN nanosheet with PCX, (PC = phenyl carbamate, X = OCH3, CH3, NH2, NO2 and CN)

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

A first-principles study of H2S adsorption and dissociation on the AlN nanotube

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

DFT study on the adsorption and dissociation of hydrogen sulfide on MgO nanotube

Z. Bagheri, M. Moradi, 2014, Structural Chemistry.

DFT study of NO2 adsorption on the AlN nanocones

A. A. Peyghan, Z. Bagheri, 2013 .

Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational study

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Journal of Molecular Modeling.

A theoretical study of CO adsorption on aluminum nitride nanotubes

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012, Structural Chemistry.

Fluorination of the exterior surface of AlN nanotube: A DFT study

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013 .

Transition metal atom adsorptions on a boron nitride nanocage

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013, Structural Chemistry.

Theoretical investigation of C60 fullerene functionalization with tetrazine

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

B12N12 Nano-cage as Potential Sensor for NO2 Detection

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Ab initio study of NH3 and H2O adsorption on pristine and Na-doped MgO nanotubes

J. Beheshtian, Z. Bagheri, Ali Ahmadi Peyghan, 2013, Structural Chemistry.

Adsorption of Na, Mg, and Al atoms on BN nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Density functional calculations on 11B and 15N chemical shielding tensors of small boron nitride nanotubes and graphitic sheet

M. Abolhassani, Z. Bagheri, N. Hadipour, 2008 .

Energetic, structural, and electronic properties of hydrogenated Al12P12 nanocluster

A. A. Peyghan, Z. Bagheri, Mohammad Kamfiroozi, 2012 .

Pt-decorated BN nanosheets as chemical sensor for recognition of dopamine drug

Z. Bagheri, Yan Cao, S. Aslanzadeh, 2021, Inorganic Chemistry Communications.

Indium nitride nanotube interaction with different DNA nucleobases: Quantum chemical analysis

Z. Bagheri, Yan Cao, Hamidreza Soleimanpour, 2021, Solid State Communications.

Functionalization of BN nanosheet with N2H4 may be feasible in the presence of Stone–Wales defect

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Structural Chemistry.

Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

Selective adsorption behavior of BC2N nanotubes toward fluoride and chloride

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013 .

Hydrogen dissociation on diene-functionalized carbon nanotubes

J. Beheshtian, Z. Bagheri, Ali Ahmadi Peyghan, 2012, Journal of Molecular Modeling.

Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanide

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Nitrate adsorption by carbon nanotubes in the vacuum and aqueous phase

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Monatshefte für Chemie - Chemical Monthly.

Strain-engineering of anisotropic behavior in the electrical and optical properties of graphene-like borophene hydride, a DFT calculation

Z. Bagheri, V. Ghaffari, M. Ilkhani, 2021 .

Adsorption and dissociation of Cl2 molecule on ZnO nanocluster

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

H2O2 adsorption on the BN and SiC nanotubes: A DFT study

A. Soltani, A. A. Peyghan, Z. Bagheri, 2013 .

Quantum chemical analysis on hydrogenated Zn12O12 nanoclusters

A. A. Peyghan, Z. Bagheri, M. T. Baei, 2013 .

Co-adsorption of CO molecules at the open ends of MgO nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Structural Chemistry.

Hydrogen Release from NH3 in the Presence of BN Graphene: DFT Studies

A. A. Peyghan, Z. Bagheri, H. Soleymanabadi, 2017 .

Adsorption and dissociation of hydrogen peroxide on the defected carbon nanotubes

Z. Bagheri, H. Soleymanabadi, M. Omidi, 2015, Structural Chemistry.

Selective detection of F2 in the presence of CO, N2, O2, and H2 molecules using a ZnO nanocluster

A. A. Peyghan, Z. Bagheri, Somayeh F. Rastegar, 2015, Monatshefte für Chemie - Chemical Monthly.

A comparison of electronic transport properties of graphene with hexagonal boron nitride substrate and graphane, a first principle study

Z. Bagheri, V. Ghaffari, M. Pashangpour, 2013 .

First principles study of H 2 O and NH 3 adsorption on the pristine and B-doped Al 12 N 12 nanocluster

A. A. Peyghan, Z. Bagheri, H. Soleymanabadi, 2015 .

On the utility of C24 fullerene framework for Li-ion batteries: Quantum chemical analysis

Z. Bagheri, 2016 .

Carbon nanotube functionalization with carboxylic derivatives: a DFT study

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Journal of Molecular Modeling.