۱۰۱ | Conformational study molecular structure and S..HN S..HN intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde | _ | Journal of Sulfur Chemistry | 2012 |
۱۰۲ | Quantum chemical studies on molecular conformations energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol | Hossein Farsi | Journal of Sulfur Chemistry | 2013 |
۱۰۳ | 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 |
۱۰۴ | Doped-SiCNT as a promising sensor for detection of CS2 molecule | _ | Journal of Sulfur Chemistry | 2017 |
۱۰۵ | Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol | Hossein Farsi | Journal of Sulfur Chemistry | 2014 |
۱۰۶ | Mechanistic energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine | Shaki Hosein,Morsali Ali,Hakimi Mohammad,Beyramabadi Ali | Journal of the Serbian Chemical Society | 2017 |
۱۰۷ | 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 |
۱۰۸ | The 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 Chemistry | 2012 |
۱۰۹ | 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 |
۱۱۰ | THEORETICAL INVESTIGATION OF SUBSTITUTION EFFECT IN 3-MERCAPTO-PROPENETHIAL | Hossein Farsi | Journal of Theoretical and Computational Chemistry | 2013 |
۱۱۱ | Molecular structure vibrational assignments conformational stability ground and excited state hydrogen-bonding analysis of 2-Nitroso vinyl amine | _ | Journal of Theoretical and Computational Chemistry | 2013 |
۱۱۲ | Structural 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 Chemistry | 2015 |
۱۱۳ | Theoretical 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 Chemistry | 2016 |
۱۱۴ | DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules | _ | MOLECULAR SIMULATION | 2017 |
۱۱۵ | 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 |
۱۱۶ | The scrutinised DFT and MD studies on the adsorption of D-penicillamine drug on γ-Fe2O3 nanoparticle as a highly efficient carrier | حیدر رئیسی,رابعه خرم پور,حسین شکی,علی مرسلی,حسن هاشم زاده | MOLECULAR SIMULATION | 2020 |
۱۱۷ | Predicting 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 calculations | حیدر رئیسی,علی صابری نصب,حسن هاشم زاده | MOLECULAR SIMULATION | 2020 |
۱۱۸ | Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs | فرزانه فرزاد,زهرا قدری بورنگ,حیدر رئیسی,مهناز شهابی چشمه موسی | MOLECULAR SIMULATION | 2019 |
۱۱۹ | Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters | afsaneh ghahari | Npj clean water | 2022 |
۱۲۰ | Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment | seyede leila Razavi Khoosfi | Npj clean water | 2022 |