Somayeh F. Rastegar
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DFT study of NH3 adsorption on pristine, Ni-and Si-doped graphynes
AA Peyghan, SF Rastegar, NL Hadipour
Physics Letters A 378 (30-31), 2184-2190, 2014
Response of Si-and Al-doped graphenes toward HCN: a computational study
SF Rastegar, AA Peyghan, NL Hadipour
Applied surface science 265, 412-417, 2013
Sensing behavior of BN nanosheet toward nitrous oxide: a DFT study
M Samadizadeh, AA Peyghan, SF Rastegar
Chinese Chemical Letters 26 (8), 1042-1045, 2015
NO2 detection by nanosized AlN sheet in the presence of NH3: DFT studies
SF Rastegar, AA Peyghan, HR Ghenaatian, NL Hadipour
Applied surface science 274, 217-220, 2013
Ab initio studies of the interaction of formaldehyde with beryllium oxide nanotube
SF Rastegar, AA Peyghan, H Soleymanabadi
Physica E: Low-dimensional Systems and Nanostructures 68, 22-27, 2015
F−, Cl−, Li+ and Na+ adsorption on AlN nanotube surface: a DFT study
M Samadizadeh, SF Rastegar, AA Peyghan
Physica E: Low-dimensional Systems and Nanostructures 69, 75-80, 2015
DFT studies of acrolein molecule adsorption on pristine and Al- doped graphenes
HS Somayeh F. Rastegar, Nasser L. Hadipour, Mohammad
Journal of Molecular Modeling, 2013
Theoretical investigation on the selective detection of SO2 molecule by AlN nanosheets
HS Somayeh. F. Rastegar, Nasser L. Hadipour
Journal of Molecular Modeling, 2014
DFT study of the CO2 and CH4 assisted adsorption on the surface of graphene
N Osouleddini, SF Rastegar
Journal of Electron Spectroscopy and Related Phenomena 232, 105-110, 2019
The electronic response of nano-sized tube of BeO to CO molecule: a density functional study
M Samadizadeh, SF Rastegar, AA Peyghan
Structural Chemistry 26, 809-814, 2015
Selective detection of F2 in the presence of CO, N2, O2, and H2 molecules using a ZnO nanocluster
AA Peyghan, SF Rastegar, Z Bagheri
Monatshefte für Chemie-Chemical Monthly 146, 1233-1239, 2015
DFT studies of Hydrogen adsorption and dissociation on MgO nanotubes
M Samadizadeh, AA Peyghan, SF Rastegar
Main Group Chemistry 15 (2), 107-116, 2016
Physisorption to chemisorption transition of H2S on carbon nanocone induced by decoration of Be2O2 cluster
SF Rastegar, H Soleymanabadi, Z Bagheri
Journal of the Iranian Chemical Society, 1-8, 2015
Analysis of decisive structural parameters of zeolites for alkylation of benzene with ethylene
SF Rastegar, G Sadovska, R Pilar, J Moravkova, D Kaucky, L Brabec, ...
Applied Catalysis A: General 591, 117379, 2020
Effect of Ge/Si substitutions on the local geometry of Si framework sites in zeolites: A combined high resolution 29Si MAS NMR and DFT/MM study on zeolite Beta polymorph C (BEC)
SR Whittleton, A Vicente, C Fernandez, SF Rastegar, AV Fishchuk, ...
Microporous and Mesoporous Materials 267, 124-133, 2018
Dithiophosphorus‐Palladium Complexes as a Catalyst in the Heck Reaction via Pd (II)/Pd (IV) Catalytic Cycle: A Combined Experimental and Computational Study
K Gholivand, R Salami, SF Rastegar, SM Roe
ChemistrySelect 3 (27), 7822-7829, 2018
Quasi-planar B36 boron cluster: a new potential basis for ammonia detection
Z Wang, Y Li, G Sheng-Jiang, L Jing-Hui, X Mei, SF Rastegar
Journal of Molecular Modeling 26, 1-8, 2020
TCNE-modified graphene as an adsorbent for N2O molecule: a DFT study
N Osouleddini, S F. Rastegar
Journal of Molecular Modeling 23, 352, 2017
Surface Modification of Carbon Nanotubes with Nitrenes: A DFT Study
MT Baei, SF Rastegar, A Ahmadi Peyghan
Fullerenes, Nanotubes and Carbon Nanostructures 23 (4), 326-331, 2015
Platinum nanoparticles on 3D graphene-like zeolite-templated carbon for benzene hydrogenation
SF Rastegar, R Pilar, J Moravkova, G Sadovska, VI Parvulescu, ...
Catalysis Science & Technology 13 (17), 5120-5130, 2023
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