۲۱ | Assessment 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 Dynamics | 2018 |
۲۲ | 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 |
۲۳ | Assessment of two-dimensional materials on the biological membrane permeability of Epirubicin anti-cancer drug | ameneh zaboli arbab din mohamad,roghayyeh yaghoubi | Applied Surface Science | 2022 |
۲۴ | 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 |
۲۵ | Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach | _ | Journal of Biomolecular Structure and Dynamics | 2019 |
۲۶ | Cation-pi interaction: A strategy for enhancing the performance of graphene-based drug delivery systems | ameneh zaboli arbab din mohamad,Faezeh Fallahi | Inorganic Chemistry Communications | 2022 |
۲۷ | Comparative optical and electrochemical studies of nanostructured NiTiO3 and NiTiO3-TiO2 prepared by a low temperature modified Sol-Gel route | Hossein Farsi | Electrochimica Acta | 2014 |
۲۸ | Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles | Mortazavifar Azam | Journal of Biomolecular Structure and Dynamics | 2019 |
۲۹ | Comprehensive study of the interaction between hydrogen halides and methanol derivatives | _ | International Journal of Quantum Chemistry | 2012 |
۳۰ | 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 |
۳۱ | Comprehensive theoretical prediction of the dynamics and stability properties of Tegafur pharmaceutical agent on the Graphene based nanostructures in aqueous environment | _ | Applied Surface Science | 2018 |
۳۲ | CONFORMATIONAL PROPERTIES AND INTRAMOLECULAR HYDROGEN BONDING OF 3-AMINO-PROPENESELENAL AN AB INITIO AND DENSITY FUNCTIONAL THEORY STUDIES | _ | Journal of Theoretical and Computational Chemistry | 2013 |
۳۳ | Conformational study molecular structure and S..HN S..HN intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde | _ | Journal of Sulfur Chemistry | 2012 |
۳۴ | Conformational study of the (z)- (2-iminoethylidone)silyl amine at the MP2 DFT and G2MP2 levels | _ | Computational and Theoretical Chemistry | 2012 |
۳۵ | Conjugation of a smart polymer to doxorubicin through a pH-responsive bond for targeted drug delivery and improving drug loading on graphene oxide† | َAli Bina | RSC Advances | 2021 |
۳۶ | Covalent organic framework as smart and high efficient carrier for anticancer drug delivery a DFT calculations and molecular dynamics simulation study | _ | Journal of Physics D: Applied Physics | 2018 |
۳۷ | 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 |
۳۸ | Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug | ,, | Adsorption | 2019 |
۳۹ | Derivatives of [P4-VP] 2% DVB as corrosion inhibitors for St-37 in 1 M H2SO4: an experimental and theoretical investigations | Seyed Yousef Mosavian,Meissam Noroozifar,Mohammad Ali Karimi Zarchi,Zeinab Hamidi,Najmeh Sabbaghi | Polymer bulletin | 2022 |
۴۰ | Design of a hydroxy channel based on the selectivity of water permeation via ions exclusion | afsaneh ghahari | Npj clean water | 2023 |