| ۱۲۱ | Evaluation of the origin of conformational and tautomeric preferences in N-formylformamide - A quantum chemical study | Nowroozi A. | International Journal of Quantum Chemistry | 2012 |
| ۱۲۲ | Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde | Nowroozi A.R | Journal of Molecular Structure-theochem | 2011 |
| ۱۲۳ | N-H S and S-H N intramolecular hydrogen bond in -thioaminoacrolein A quantum chemical study | Nowroozi A.R, Roohi H, Poorsargol M,Jahani P.M,Hajiabadi H | International Journal of Quantum Chemistry | 2011 |
| ۱۲۴ | O-H S intramolecular hydrogen bond in thiomalonaldehyde derivatives A quantum chemical study | Nowroozi A.R, Roohi H,Hajiabadi H,Khalilinia E, Birgan M.N | Journal of Molecular Structure-theochem | 2011 |
| ۱۲۵ | Derivatives of [P4-VP] 2% DVB as corrosion inhibitors for St-37 in 1 M H2SO4: an experimental and theoretical investigations | Seyed Yousef Mosavian,Meissam Noroozifar,Mohammad Ali Karimi Zarchi,Zeinab Hamidi,Najmeh Sabbaghi | Polymer bulletin | 2022 |
| ۱۲۶ | 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 |
| ۱۲۷ | Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery | seyede leila Razavi Khoosfi | Scientific Reports | 2023 |
| ۱۲۸ | Efficient immobilization of horseradish peroxidase enzyme on transition metal carbides | seyede leila Razavi Khoosfi | Journal of Molecular Liquids | 2023 |
| ۱۲۹ | Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized silicene nanosheet: A molecular dynamic simulation | seyede leila Razavi Khoosfi | Journal of Molecular Graphics and Modelling | 2021 |
| ۱۳۰ | Theoretical Description of Substituent E ects in 2 4-Pentanedione AIM NBO and NMR Study | shakhs Imampour Jalal,Karimi Mohammad | Bulletin of the Chemical Society of Japan | 2012 |
| ۱۳۱ | 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 |
| ۱۳۲ | Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study | Torkzadeh-Mahani Masoud,Zaboli Mahdiye | ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS | 2019 |
| ۱۳۳ | Understanding dual delivery of doxorubicin and paclitaxel with boron nitride and phosphorene nanosheets as highly efficient drug delivery systems | حیدر رئیسی,حسن هاشم زاده | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۳۴ | Design of New Materials Based on Functionalization of Cu-BTC for Adsorption and Separation of CH4 and CO2: GCMC and MD Simulations Study | حیدر رئیسی,حسن هاشم زاده,فرزانه فرزاد | Russian Journal of Physical Chemistry A | 2019 |
| ۱۳۵ | Investigation of the Pristine and Functionalized Carbon Nanotubes as a Delivery System for the Anticancer Drug Dacarbazine: Drug Encapsulation | حیدر رئیسی,حلیمه میرسالاری,افسانه مالکی,عظیم سلطان ابادی | Journal of Pharmaceutical Sciences | 2021 |
| ۱۳۶ | The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment | حیدر رئیسی,حیدر مرادنیا,مهناز شهابی چشمه موسی | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۳۷ | 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 |
| ۱۳۸ | New insights into Hexakis macrocycles as a novel nano-carrier for highly potent anti-cancer treatment: A new challenge in drug delivery | حیدر رئیسی,سمانه پاسبان موشکی | Colloids and Surfaces B: Biointerfaces | 2021 |
| ۱۳۹ | Molecular Insights into the Loading and Dynamics of Anticancer Drugs on Silicene and Folic acidconjugated Silicene nanosheets: DFT calculation and MD simulation | حیدر رئیسی,سیده لیلا رضوی خوسفی,حسن هاشم زاده,فرزانه فرزاد | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۴۰ | 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 |