مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۱۰۱Conformational study molecular structure and S..HN S..HN intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde_Journal of Sulfur Chemistry2012
۱۰۲Quantum chemical studies on molecular conformations energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenolHossein FarsiJournal of Sulfur Chemistry2013
۱۰۳Comprehensive study of the structural and electronic properties of complexes formed by M z (Li Na K Be 2 Mg 2_Journal of Sulfur Chemistry2014
۱۰۴Doped-SiCNT as a promising sensor for detection of CS2 molecule_Journal of Sulfur Chemistry2017
۱۰۵Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenolHossein FarsiJournal of Sulfur Chemistry2014
۱۰۶Mechanistic energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamineShaki Hosein,Morsali Ali,Hakimi Mohammad,Beyramabadi AliJournal of the Serbian Chemical Society2017
۱۰۷Design of a new drug delivery platform based on surface functionalization 2D covalent organic frameworksafsaneh ghahariJournal of the Taiwan Institute of Chemical Engineers2021
۱۰۸The effect of substitution on structure intramolecular hydrogen bonding strength electron density and resonance in 3-amino 2-iminomethyl acryl aldehyde_Journal of Theoretical and Computational Chemistry2012
۱۰۹CONFORMATIONAL PROPERTIES AND INTRAMOLECULAR HYDROGEN BONDING OF 3-AMINO-PROPENESELENAL AN AB INITIO AND DENSITY FUNCTIONAL THEORY STUDIES_Journal of Theoretical and Computational Chemistry2013
۱۱۰THEORETICAL INVESTIGATION OF SUBSTITUTION EFFECT IN 3-MERCAPTO-PROPENETHIALHossein FarsiJournal of Theoretical and Computational Chemistry2013
۱۱۱Molecular structure vibrational assignments conformational stability ground and excited state hydrogen-bonding analysis of 2-Nitroso vinyl amine_Journal of Theoretical and Computational Chemistry2013
۱۱۲Structural QTAIM thermodynamic properties bonding aromaticity and NMR analyses of cation interactions of mono and divalent metal cations ( Li Na K Be2_Journal of Theoretical and Computational Chemistry2015
۱۱۳Theoretical calculations of intramolecular hydrogen bond of the 2-Amino-2 4 6-cycloheptatrien-1-one in the gas phase and solution Substituent effects and their positions_Journal of Theoretical and Computational Chemistry2016
۱۱۴DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules_MOLECULAR SIMULATION2017
۱۱۵Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugsMahnaz ShahabiMOLECULAR SIMULATION2019
۱۱۶The scrutinised DFT and MD studies on the adsorption of D-penicillamine drug on γ-Fe2O3 nanoparticle as a highly efficient carrierحیدر رئیسی,رابعه خرم پور,حسین شکی,علی مرسلی,حسن هاشم زادهMOLECULAR SIMULATION2020
۱۱۷Predicting the efficiency of polyethylene glycol-functionalised graphene in delivery of temozolomide anticancer drug and investigating the effect of pH on the drug release process: DFT and free energy calculationsحیدر رئیسی,علی صابری نصب,حسن هاشم زادهMOLECULAR SIMULATION2020
۱۱۸Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugsفرزانه فرزاد,زهرا قدری بورنگ,حیدر رئیسی,مهناز شهابی چشمه موسیMOLECULAR SIMULATION2019
۱۱۹Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewatersafsaneh ghahariNpj clean water2022
۱۲۰Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessmentseyede leila Razavi KhoosfiNpj clean water2022
نمایش ۱۰۱ تا ۱۲۰ مورد از کل ۱۵۱ مورد.