| ۶۱ | The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach | , | Journal of Biomolecular Structure and Dynamics | 2018 |
| ۶۲ | Understanding the role of hydrogen bonds in destruction of DNA by screening interactions of Flutamide anticancer drug with nucleotides bases: DFT perspective, MD simulation and free energy calculation | , | Adsorption | 2019 |
| ۶۳ | Substituent effect on structure electron density and intramolecular hydrogen bonding in nitroso-oxime methane | ,, | International Journal of Quantum Chemistry | 2011 |
| ۶۴ | Solvent effects on the stability and the electronic properties of histidine/Pd-doped single-walled carbon nanotube biosensor | ,, | Journal of Molecular Liquids | 2016 |
| ۶۵ | 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 |
| ۶۶ | Theoretical Description of Substituent Effects in 2,4-Pentanedione: AIM, NBO, and NMR Study | ,, | Bulletin of the Chemical Society of Japan | 2012 |
| ۶۷ | A comparative study in 3-imino-propen-1-ol and its derivatives | ,,, | International Journal of Quantum Chemistry | 2012 |
| ۶۸ | 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 |
| ۶۹ | The effects of substituitions on structure electron density resonance and intramolecular hydrogen bonding strength in a mercapto-propenethial | ,,, | Journal of Molecular Structure-theochem | 2010 |
| ۷۰ | Reinvestigation of intramolecular hydrogen bond in malonaldehyde derivatives An ab initio AIM and NBO study | ,Hajiabadi H,Jahani P.M | International Journal of Quantum Chemistry | 2011 |
| ۷۱ | Flotation separation and electrotermal atomic absorption spectrometric determination of thallium in wastewater samples | 0 | Annali di Chimica | 2006 |
| ۷۲ | A strategy toward therapeutic improvement of electric feld-sensitive gemcitabine prodrugs in 2D metal–organic frameworks in view of their structure and interactions | Abdul Raqib Haqyar,Hassan Hashemzadeh | Inorganic Chemistry Communications | 2022 |
| ۷۳ | Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters | afsaneh ghahari | Npj clean water | 2022 |
| ۷۴ | Design of a hydroxy channel based on the selectivity of water permeation via ions exclusion | afsaneh ghahari | Npj clean water | 2023 |
| ۷۵ | Design of a new drug delivery platform based on surface functionalization 2D covalent organic frameworks | afsaneh ghahari | Journal of the Taiwan Institute of Chemical Engineers | 2021 |
| ۷۶ | On the role of alkanethiol Au complex in the formation of gold deposits; an in-silico approach | Ahmad Haghi | Chemical Geology | 2022 |
| ۷۷ | 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 |
| ۷۸ | Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier | Ali Arab,Najme Dastani, | Adsorption | 2019 |
| ۷۹ | 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 |
| ۸۰ | Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane | ameneh zaboli arbab din mohamad | Scientific Reports | 2021 |