مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۱۰۱Theoretical 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
۱۰۲Assessment 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
۱۰۳Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine conformers energies and intramolecular hydrogen-bond strengthKhanmohammadi Azadeh,yoosefian mehdiStructural Chemistry2013
۱۰۴Analysis of the structures energetics and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent a detailed computational approachKhorram RabeehStructural Chemistry2018
۱۰۵Assessment 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
۱۰۶The computational study of the -Fe2O3 nanoparticle as Carmustine drug delivery system DFT approachKhorram Rabeeh,Morsali AliJournal of Biomolecular Structure and Dynamics2018
۱۰۷Factors affecting the reactivity and selectivity in the oxidation of sulfides with tetra-n-butylammonium peroxomonosulfate catalyzed by Mn (III) porphyrins Significant nitrogen donor effectsMaasoumeh JafarpourPolyhedron2011
۱۰۸A DFT investigation of axial N-donor ligands effects on the high valent manganese-oxo meso-tetraphenyl porphyrinMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۱۰۹Stereoelectronic effects of porphyrin ligand on the oxygen transfer efficiency of high valent manganese-oxo porphyrin species A DFT studyMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۱۱۰Significant hydrogen-bonding effect on the reactivity of high-valent manganese(V) oxo porphyrins in C H bond activation A DFT studyMaasoumeh JafarpourJournal of Porphyrins and Phthalocyanines2015
۱۱۱Screening of different interactions in oxo-manganese porphyrin dimers containing axial N-donor ligands a theoretical studyMaasoumeh JafarpourRSC Advances2018
۱۱۲Economical Oxygenation of Olefins and Sulfides Catalyzed by New Molybdenum(VI) Tridentate Schiff Base Complexes Synthesis and Crystal StructureMaasoumeh Jafarpour,Stoeckli-Evans HelenZeitschrift fur Anorganische und Allgemeine Chemie2012
۱۱۳Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugsMahnaz ShahabiMOLECULAR SIMULATION2019
۱۱۴Grafting of a chiral Mn(iii) complex on graphene oxide nanosheets and its catalytic activity for alkene epoxidationMohammad ali Nasseri,Ali AllahresaniRSC Advances2014
۱۱۵Mild oxidation of alkenes catalyzed by Fe3O4/SiO2 nanoparticlesMohammad ali Nasseri,Ali AllahresaniReaction Kinetics, Mechanisms and Catalysis2014
۱۱۶A new application of nano-graphene oxide as a heterogeneous catalyst in crossedMohammad ali Nasseri,Ali AllahresaniIranian Journal of Catalysis2014
۱۱۷Influence of high-electronegativity atoms on the 7 Be decay rateMohammad Mehdi FiroozabadiPhysical Review C2020
۱۱۸The combination of polyphenols and phospholipids as an efficient platform for delivery of natural productsMohammad Yahya Hanafi‑Bojd,Milad Iranshahy,Asghar ZarbanScientific Reports2023
۱۱۹Theoretical 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 MDMortazavifar AzamJournal of Cluster Science2018
۱۲۰Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehiclesMortazavifar AzamJournal of Biomolecular Structure and Dynamics2019
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