۶۱ | The effects of electrolyte on the capacitive behavior of nanostructured molybdenum oxides | Hossein Farsi,Shokufeh Moghiminia,Andrew Riley,Zhihai Li | JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY | 2019 |
۶۲ | Boosting BeONT Reactivity with HCN by Calcium and Magnesium Doping A DFT Investigation of Electronic Structure AIM NMR NQR and NBO Analysis | _ | Journal of Cluster Science | 2018 |
۶۳ | Theoretical Prediction of Adsorption Properties of Carmustine Drug on Various Sites of the Outer Surface of the Single-Walled Boron Nitride Nanotube and Investigation of Urea Effect on Drug Delivery by DFT and MD | Mortazavifar Azam | Journal of Cluster Science | 2018 |
۶۴ | Evaluation the synergistic antitumor effect of methotrexate–camptothecin codelivery prodrug from selfassembly process to acid-catalyzed both drugs release: A comprehensive theoretical study | حیدر رئیسی,مجید پاکدل,سیده طاهره حسینی | JOURNAL OF COMPUTATIONAL CHEMISTRY | 2020 |
۶۵ | Investigation 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 CHEMISTRY | 2016 |
۶۶ | 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 |
۶۷ | DFT 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 Materials | 2017 |
۶۸ | Assessment 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 Materials | 2017 |
۶۹ | Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized silicene nanosheet: A molecular dynamic simulation | seyede leila Razavi Khoosfi | Journal of Molecular Graphics and Modelling | 2021 |
۷۰ | 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 |
۷۱ | Solvent 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 Liquids | 2016 |
۷۲ | Solvent effects on the stability and the electronic properties of histidine/Pd-doped single-walled carbon nanotube biosensor | ,, | Journal of Molecular Liquids | 2016 |
۷۳ | Evaluation 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 Liquids | 2017 |
۷۴ | Assessment of solvent effects on the interaction of Carmustine drug with the pristine and COOH-functionalized single-walled carbon nanotubes A DFT perspective | Khorram Rabeeh,Morsali Ali | Journal of Molecular Liquids | 2017 |
۷۵ | Theoretical study of solvent and co-solvent effects on the interaction of Flutamide anticancer drug with Carbon nanotube as a drug delivery system | Kamel Maedeh,Morsali Ali | Journal of Molecular Liquids | 2017 |
۷۶ | Density 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 Liquids | 2018 |
۷۷ | Assessment of solvent effects on the inclusion behavior of pyrazinamide drug into cyclic peptide based nanotubes as novel drug delivery vehicles | _ | Journal of Molecular Liquids | 2018 |
۷۸ | DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug | Akbari Alireza,Mortazavifar Azam | Journal of Molecular Liquids | 2018 |
۷۹ | Loading and release of anticancer drug from phosphorene as a template material with high efficient carrier: From vacuum to cell membrane | _ | Journal of Molecular Liquids | 2019 |
۸۰ | The transport of Idarubicin therapeutic agent using a novel graphene sheet as a drug delivery platform through a biomembrane | حیدر رئیسی,مهناز شهابی چشمه موسی | Journal of Molecular Liquids | 2020 |