مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۸۱Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug a molecular dynamics simulation study_Journal of Molecular Modeling2017
۸۲DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules_MOLECULAR SIMULATION2017
۸۳Evaluation of solvent and ion effects upon leflunomide adsorption characteristics on (60) zigzag single-walled carbon nanotube and immobilized dihydroorotate dehydrogenase activity A computational DFT and experimental study_Journal of Molecular Liquids2017
۸۴Assessment of DFT Calculations and Molecular Dynamics Simulation on the Application of Zinc Oxide Nanotube as Hydrogen Cyanide Gas Sensor_Journal of Inorganic and Organometallic Polymers and Materials2017
۸۵Screening of the structural topological and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method_Journal of Biomolecular Structure and Dynamics2017
۸۶Assessment of solvent effects on the interaction of Carmustine drug with the pristine and COOH-functionalized single-walled carbon nanotubes A DFT perspectiveKhorram Rabeeh,Morsali AliJournal of Molecular Liquids2017
۸۷Mechanistic energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamineShaki Hosein,Morsali Ali,Hakimi Mohammad,Beyramabadi AliJournal of the Serbian Chemical Society2017
۸۸Doped-SiCNT as a promising sensor for detection of CS2 molecule_Journal of Sulfur Chemistry2017
۸۹Theoretical study of solvent and co-solvent effects on the interaction of Flutamide anticancer drug with Carbon nanotube as a drug delivery systemKamel Maedeh,Morsali AliJournal of Molecular Liquids2017
۹۰Investigation 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
۹۱Solvent effects on the structural electronic properties and intramolecular N H O hydrogen bond strength of 5-aminomethylene-pyrimidine-2 4 6 trion with DFT calculations_Journal of Molecular Liquids2016
۹۲Solvent effects on the stability and the electronic properties of histidine/Pd-doped single-walled carbon nanotube biosensor,,Journal of Molecular Liquids2016
۹۳Theoretical 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
۹۴Molecular dynamics simulation and quantum chemical studies on the investigation of aluminum nitride nanotube as phosgene gas sensor_JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY2016
۹۵DFT study of the adsorption of H2S H2Se and SO2 gas molecules on the surface of Fullerenefarzad FarzanehInternational Journal of Advanced Biotechnology and Research2016
۹۶First-principles investigation of graphene sheet for sensing carbon dioxideFarzad FarzanehInternational Journal of Advanced Biotechnology and Research2016
۹۷The influence of nicotine on pioglitazone encapsulation into carbon nanotube the investigation of molecular dynamic and density functional theory_Journal of Biomolecular Structure and Dynamics2016
۹۸A 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
۹۹Structural 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
۱۰۰The 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
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