مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۴۱Electronic structures intramolecular hydrogen bond interaction and aromaticity of substituted 4-amino-3-penten-2-one in ground and electronic excited state_Structural Chemistry2014
۴۲A new application of nano-graphene oxide as a heterogeneous catalyst in crossedMohammad ali Nasseri,Ali AllahresaniIranian Journal of Catalysis2014
۴۳Comparative optical and electrochemical studies of nanostructured NiTiO3 and NiTiO3-TiO2 prepared by a low temperature modified Sol-Gel routeHossein FarsiElectrochimica Acta2014
۴۴Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenolHossein FarsiJournal of Sulfur Chemistry2014
۴۵Quantum 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 Chemistry2015
۴۶A DFT investigation of axial N-donor ligands effects on the high valent manganese-oxo meso-tetraphenyl porphyrinMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۴۷Stereoelectronic effects of porphyrin ligand on the oxygen transfer efficiency of high valent manganese-oxo porphyrin species A DFT studyMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۴۸Significant hydrogen-bonding effect on the reactivity of high-valent manganese(V) oxo porphyrins in C H bond activation A DFT studyMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۴۹A 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 Liquids2015
۵۰The 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: Chemical2015
۵۱Effects of the HCN adsorption on the structural and electronic parameters of the beryllium oxide nanotube_Structural Chemistry2015
۵۲Investigation 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 Advances2015
۵۳Structural 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 Chemistry2015
۵۴The 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 Chemistry2015
۵۵The influence of nicotine on pioglitazone encapsulation into carbon nanotube the investigation of molecular dynamic and density functional theory_Journal of Biomolecular Structure and Dynamics2016
۵۶Molecular dynamics simulation and quantum chemical studies on the investigation of aluminum nitride nanotube as phosgene gas sensor_JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY2016
۵۷Theoretical calculations of intramolecular hydrogen bond of the 2-Amino-2 4 6-cycloheptatrien-1-one in the gas phase and solution Substituent effects and their positions_Journal of Theoretical and Computational Chemistry2016
۵۸Investigation of the molecular structure electronic properties AIM NBO NMR and NQR parameters for the interaction of Sc Ga and Mg-doped (6 0) aluminum nitride nanotubes with COCl2 gas by DFT study_JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY2016
۵۹DFT study of the adsorption of H2S H2Se and SO2 gas molecules on the surface of Fullerenefarzad FarzanehInternational Journal of Advanced Biotechnology and Research2016
۶۰Solvent effects on the stability and the electronic properties of histidine/Pd-doped single-walled carbon nanotube biosensor,,Journal of Molecular Liquids2016
نمایش ۴۱ تا ۶۰ مورد از کل ۱۵۱ مورد.