| ۱۲۱ | 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 |
| ۱۲۲ | 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 |
| ۱۲۳ | 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 |
| ۱۲۴ | 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 |
| ۱۲۵ | 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 |
| ۱۲۶ | Effects of the HCN adsorption on the structural and electronic parameters of the beryllium oxide nanotube | _ | Structural Chemistry | 2015 |
| ۱۲۷ | 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 |
| ۱۲۸ | 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 |
| ۱۲۹ | 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 |
| ۱۳۰ | 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 |
| ۱۳۱ | 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 |
| ۱۳۲ | 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 |
| ۱۳۳ | 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 |
| ۱۳۴ | Mild oxidation of alkenes catalyzed by Fe3O4/SiO2 nanoparticles | Mohammad ali Nasseri,Ali Allahresani | Reaction Kinetics, Mechanisms and Catalysis | 2014 |
| ۱۳۵ | Molecular structure conformational stability energetic and intramolecular hydrogen bonding in ground and electronic excited state of 3-mercapto propeneselenal | _ | Structural Chemistry | 2014 |
| ۱۳۶ | 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 |
| ۱۳۷ | 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 |
| ۱۳۸ | Comprehensive study of the structural and electronic properties of complexes formed by M z (Li Na K Be 2 Mg 2 | _ | Journal of Sulfur Chemistry | 2014 |
| ۱۳۹ | Electronic structures intramolecular hydrogen bond interaction and aromaticity of substituted 4-amino-3-penten-2-one in ground and electronic excited state | _ | Structural Chemistry | 2014 |
| ۱۴۰ | A new application of nano-graphene oxide as a heterogeneous catalyst in crossed | Mohammad ali Nasseri,Ali Allahresani | Iranian Journal of Catalysis | 2014 |
