۱۰۱ | 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 |
۱۰۲ | Assessment 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 MD | Kamel Maedeh,Morsali Ali | Applied Surface Science | 2018 |
۱۰۳ | Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine conformers energies and intramolecular hydrogen-bond strength | Khanmohammadi Azadeh,yoosefian mehdi | Structural Chemistry | 2013 |
۱۰۴ | Analysis of the structures energetics and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent a detailed computational approach | Khorram Rabeeh | Structural Chemistry | 2018 |
۱۰۵ | 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 |
۱۰۶ | The computational study of the -Fe2O3 nanoparticle as Carmustine drug delivery system DFT approach | Khorram Rabeeh,Morsali Ali | Journal of Biomolecular Structure and Dynamics | 2018 |
۱۰۷ | Factors affecting the reactivity and selectivity in the oxidation of sulfides with tetra-n-butylammonium peroxomonosulfate catalyzed by Mn (III) porphyrins Significant nitrogen donor effects | Maasoumeh Jafarpour | Polyhedron | 2011 |
۱۰۸ | A DFT investigation of axial N-donor ligands effects on the high valent manganese-oxo meso-tetraphenyl porphyrin | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
۱۰۹ | Stereoelectronic effects of porphyrin ligand on the oxygen transfer efficiency of high valent manganese-oxo porphyrin species A DFT study | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
۱۱۰ | Significant hydrogen-bonding effect on the reactivity of high-valent manganese(V) oxo porphyrins in C H bond activation A DFT study | Maasoumeh Jafarpour | Journal of Porphyrins and Phthalocyanines | 2015 |
۱۱۱ | Screening of different interactions in oxo-manganese porphyrin dimers containing axial N-donor ligands a theoretical study | Maasoumeh Jafarpour | RSC Advances | 2018 |
۱۱۲ | Economical Oxygenation of Olefins and Sulfides Catalyzed by New Molybdenum(VI) Tridentate Schiff Base Complexes Synthesis and Crystal Structure | Maasoumeh Jafarpour,Stoeckli-Evans Helen | Zeitschrift fur Anorganische und Allgemeine Chemie | 2012 |
۱۱۳ | Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs | Mahnaz Shahabi | MOLECULAR SIMULATION | 2019 |
۱۱۴ | Grafting of a chiral Mn(iii) complex on graphene oxide nanosheets and its catalytic activity for alkene epoxidation | Mohammad ali Nasseri,Ali Allahresani | RSC Advances | 2014 |
۱۱۵ | Mild oxidation of alkenes catalyzed by Fe3O4/SiO2 nanoparticles | Mohammad ali Nasseri,Ali Allahresani | Reaction Kinetics, Mechanisms and Catalysis | 2014 |
۱۱۶ | A new application of nano-graphene oxide as a heterogeneous catalyst in crossed | Mohammad ali Nasseri,Ali Allahresani | Iranian Journal of Catalysis | 2014 |
۱۱۷ | Influence of high-electronegativity atoms on the 7 Be decay rate | Mohammad Mehdi Firoozabadi | Physical Review C | 2020 |
۱۱۸ | The combination of polyphenols and phospholipids as an efficient platform for delivery of natural products | Mohammad Yahya Hanafi‑Bojd,Milad Iranshahy,Asghar Zarban | Scientific Reports | 2023 |
۱۱۹ | 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 |
۱۲۰ | 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 |