مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۶۱First-principles investigation of graphene sheet for sensing carbon dioxideFarzad FarzanehInternational Journal of Advanced Biotechnology and Research2016
۶۲The influence of nicotine on pioglitazone encapsulation into carbon nanotube the investigation of molecular dynamic and density functional theory_Journal of Biomolecular Structure and Dynamics2016
۶۳DFT Calculations and Molecular Dynamics Simulation Study on the Adsorption of 5-Fluorouracil Anticancer Drug on Graphene Oxide Nanosheet as a Drug Delivery Vehicle_Journal of Inorganic and Organometallic Polymers and Materials2017
۶۴The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel a molecular dynamics simulation study_Journal of Molecular Modeling2017
۶۵Solvent/co-solvent effects on the electronic properties and adsorption mechanism of anticancer drug Thioguanine on Graphene oxide surface as a nanocarrier Density functional theory investigation and a molecular dynamics_Applied Surface Science2017
۶۶Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug a molecular dynamics simulation study_Journal of Molecular Modeling2017
۶۷DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules_MOLECULAR SIMULATION2017
۶۸Evaluation 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
۶۹Assessment 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
۷۰Screening 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
۷۱Assessment 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
۷۲Mechanistic energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamineShaki Hosein,Morsali Ali,Hakimi Mohammad,Beyramabadi AliJournal of the Serbian Chemical Society2017
۷۳Doped-SiCNT as a promising sensor for detection of CS2 molecule_Journal of Sulfur Chemistry2017
۷۴Theoretical 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
۷۵A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit 67 urils Analysis of electronic structure_Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2018
۷۶Boosting BeONT Reactivity with HCN by Calcium and Magnesium Doping A DFT Investigation of Electronic Structure AIM NMR NQR and NBO Analysis_Journal of Cluster Science2018
۷۷Density functional theory calculations and molecular dynamics simulations of the adsorption of ellipticine anticancer drug on graphene oxide surface in aqueous medium as well as under controlled pH conditions_Journal of Molecular Liquids2018
۷۸Assessment of the chitosan-functionalized graphene oxide as a carrier for loading Thioguanine an antitumor drug and effect of urea on adsorption process Combination of DFT computational and Molecular Dynamics Simulation Studies_Journal of Biomolecular Structure and Dynamics2018
۷۹Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle An alternative theoretical approach based on DFT and MDKamel Maedeh,Morsali AliApplied Surface Science2018
۸۰The computational study of the -Fe2O3 nanoparticle as Carmustine drug delivery system DFT approachKhorram Rabeeh,Morsali AliJournal of Biomolecular Structure and Dynamics2018
نمایش ۶۱ تا ۸۰ مورد از کل ۱۵۱ مورد.