| 121 | Molecular dynamics simulation and quantum chemical studies on the investigation of aluminum nitride nanotube as phosgene gas sensor | _ | JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY | 2016 |
| 122 | DFT study of the adsorption of H2S H2Se and SO2 gas molecules on the surface of Fullerene | farzad Farzaneh | International Journal of Advanced Biotechnology and Research | 2016 |
| 123 | First-principles investigation of graphene sheet for sensing carbon dioxide | Farzad Farzaneh | International Journal of Advanced Biotechnology and Research | 2016 |
| 124 | The influence of nicotine on pioglitazone encapsulation into carbon nanotube the investigation of molecular dynamic and density functional theory | _ | Journal of Biomolecular Structure and Dynamics | 2016 |
| 125 | A theoretical study on the structure of 2-amino-1 3 4-thiadiazole and its 5-substituted derivatives in the gas phase water THF and DMSO solutions | ,,, | Journal of Molecular Liquids | 2015 |
| 126 | Structural QTAIM thermodynamic properties bonding aromaticity and NMR analyses of cation interactions of mono and divalent metal cations ( Li Na K Be2 | _ | Journal of Theoretical and Computational Chemistry | 2015 |
| 127 | The analysis of electronic structures adsorption properties NBO QTAIM and NMR parameters of the adsorbed hydrogen sulfide on various sites of the outer surface of aluminum phosphide nanotube a DFT study | _ | Structural Chemistry | 2015 |
| 128 | Investigation of adsorption properties of CS2 on interior and exterior surfaces of single-walled silicon-carbide nanotubes and effect of applied electric field electronic structure charge density and NMR studies | _ | RSC Advances | 2015 |
| 129 | Effects of the HCN adsorption on the structural and electronic parameters of the beryllium oxide nanotube | _ | Structural Chemistry | 2015 |
| 130 | Quantum chemical study on influence of the substitution effect on the structural and electronic properties and intramolecular hydrogen bonding of 2-nitrophenyl hydrosulfide in ground and electronic excited state | _ | Structural Chemistry | 2015 |
| 131 | The hybrid of Pd and SWCNT (Pd loaded on SWCNT) as an efficient sensor for the formaldehyde molecule detection A DFT study | , | Sensors and Actuators B: Chemical | 2015 |
| 132 | A DFT investigation of axial N-donor ligands effects on the high valent manganese-oxo meso-tetraphenyl porphyrin | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
| 133 | Stereoelectronic effects of porphyrin ligand on the oxygen transfer efficiency of high valent manganese-oxo porphyrin species A DFT study | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
| 134 | Significant hydrogen-bonding effect on the reactivity of high-valent manganese(V) oxo porphyrins in C H bond activation A DFT study | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
| 135 | Molecular structure and bonding character of mono and divalent metal cations (Li Na K Be2 Mg2 and Ca2 ) with substituted benzene derivatives AIM NBO and NMR analyses | , | Structural Chemistry | 2014 |
| 136 | Grafting of a chiral Mn(iii) complex on graphene oxide nanosheets and its catalytic activity for alkene epoxidation | Mohammad ali Nasseri,Ali Allahresani | RSC Advances | 2014 |
| 137 | Mild oxidation of alkenes catalyzed by Fe3O4/SiO2 nanoparticles | Mohammad ali Nasseri,Ali Allahresani | Reaction Kinetics, Mechanisms and Catalysis | 2014 |
| 138 | Molecular structure conformational stability energetic and intramolecular hydrogen bonding in ground and electronic excited state of 3-mercapto propeneselenal | _ | Structural Chemistry | 2014 |
| 139 | Theoretical study of substituents effects on characteristics of resonance-assisted hydrogen bond in (Z)-(thionitrosomethylene)hydrazine and its derivatives in ground and electronic excited state | _ | Structural Chemistry | 2014 |
| 140 | Immunosuppressive agent leflunomide A SWNTs-immobilized dihydroortate dehydrogenase inhibitory effect and computational study of its adsorption properties on zigzag single walled (6 0) carbon and boron nitride nanotubes as controlled drug delivery devices | _ | European Journal of Pharmaceutical Sciences | 2014 |