| Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n= 1–4) H Hadi, H Louis, TE Gber, FO Ogungbemiro Heliyon 9 (10), 2023 | 14 | 2023 |
| DFT computational study of a candidate field-effect molecular wire H Mostaanzadeh, R Safari, H Hadi, MR Javadi Russian Journal of Physical Chemistry A 97 (1), 202-211, 2023 | 10 | 2023 |
| TDDFT and AIM evaluation of the effect of H and F abstraction from the calix [8] BODIPY molecule H Hadi, HR Shamlouei Computational and Theoretical Chemistry 1206, 113494, 2021 | 10 | 2021 |
| The effect of chemically functionalized C60-nanocages as sorbents and sensors for methamphetamine drug: A DFT and QTAIM study H Hadi, CH Lai, DC Agurokpon, HCB de Oliveira, H Louis Diamond and Related Materials 141, 110722, 2024 | 9 | 2024 |
| Design, synthesis, and density functional theory studies of a new selective chemosensor for Pb2+ H Hadi, G Bouzid, S Nasr, H Ghalla, RB Chaabane, S Ayachi Heliyon 9 (9), 2023 | 9 | 2023 |
| Quantum study of symmetrical/asymmetrical charge and energy transfer in a simple candidate molecular switch R Safari, H Hadi, HR Shamlouei Structural Chemistry 34 (1), 59-70, 2023 | 9 | 2023 |
| Synthesis and experimental/theoretical evaluation of β-CD/MTX nanostructure for use in targeted drug delivery systems H Hadi, R Safari, HR Shamlouei Chemical Papers 77 (1), 63-74, 2023 | 9 | 2023 |
| Design of the novel calix [n] BODIPY molecules (n= 4–8): TDDFT and AIM study H Hadi, HR Shamlouei Journal of Inclusion Phenomena and Macrocyclic Chemistry 102 (5), 557-568, 2022 | 9 | 2022 |
| Exploring High-Performance Functionalized Corannulene Dimers: A DFT-Based Investigation for Novel Photovoltaic Applications H Hadi, B Chouchen, S Nasr, G Bouzid, I Chérif, A Basha, A Kubaib, ... Synthetic Metals, 117543, 2024 | 8 | 2024 |
| Design, Transport/Molecular Scale Electronics, Electric Properties, and a Conventional Quantum Study of a New Potential Molecular Switch for Nanoelectronic Devices H Hadi, B Gassoumi, S Nasr, R Safari, AA Basha, PM Imran, H Ghalla, ... ACS omega 9 (1), 1029-1041, 2023 | 8 | 2023 |
| Molecular Simulation of the Effect of Electron Donor/Acceptor Groups on Fluvoxamine/Serotonin Interactions as a Strategy for COVID‐19 Mitigation H Hadi, H Louis, K Jafari, TE Gber, NA Onwuabusim ChemistrySelect 8 (42), e202302980, 2023 | 8 | 2023 |
| Molecular simulation of a fluorescent sensor of 2-(1-H-benzoimidazole)-N-phenylcarbotiamide for selective detection of Ni2+ in aqueous media H Hadi, HR Shamlouei Molecular Simulation 48 (18), 1668-1677, 2022 | 8 | 2022 |
| Use of Dextran-Coated Cobalt–Zinc Ferrite Nanoparticles to Improve Image Quality in Magnetic Resonance Imaging: Non-Clinical Approach R Safari, H Hadi Russian Journal of Physical Chemistry A 95, 2643-2652, 2021 | 8 | 2021 |
| Computational evaluation of some optical and quantum electronics properties (performance) of an organic molecular switch H Hadi, R Safari Optical and Quantum Electronics 56 (4), 575, 2024 | 6 | 2024 |
| A leap forward in the optimization of organic solar cells: DFT-based insights into the design of NDI-based donor-acceptor-donor structures H Hadi, S Alshehri Materials Science in Semiconductor Processing 185, 108994, 2025 | 5 | 2025 |
| Influence of nitrogen exchange in the core-shell structure of naphthalenediimide molecules on the advancement of quantum electronic properties H Hadi, AMA Mahmoud, I Cherif, R Safari, B Gassoumi, B Abdelaziz, ... Synthetic Metals 309, 117748, 2024 | 5 | 2024 |
| An Experimental and Quantum (QTAIM) Performance Study of a Proposed Molecular Chemosensor: A Quinazolinone‐Based Sensor for Hg2+ Ion Detection H Hadi, R Safari, A Landarani‐Isfahani, HR Shamlouei ChemistrySelect 8 (9), e202203885, 2023 | 5 | 2023 |
| Synthesis and experimental/theoretical evaluation of an efficient Calix[4]arene based sensor for selective detection of Pt2+ ion H Hadi, R Safari Molecular Physics 120 (17), e2108516, 2022 | 5 | 2022 |
| Impact of calcination temperature on the spin–spin relaxation time (T2) of MgFe2O4 nanoparticles (in vitro) H Hadi, R Safari, HR Shamlouei Canadian Journal of Chemistry 100 (12), 891-899, 2022 | 5 | 2022 |
| External Electric Field Effects on Electronic Properties of a Candidate Eco-friendly Biopolymer and Its Anticorrosive Properties in Acidic Media R Safari, A Ehsani, AH Kashi, H Hadi, FS Beladi Journal of Materials Engineering and Performance 30 (1), 522-534, 2021 | 5 | 2021 |
Hamid Reza ShamloueiAssociate Professor of Physical ChemistryE-mail confirmado em lu.ac.ir