The mobility and solvation structure of a hydroxyl radical in a water nanodroplet: a Born–Oppenheimer molecular dynamics study MH Hadizadeh, L Yang, G Fang, Z Qiu, Z Li Physical Chemistry Chemical Physics 23 (27), 14628-14635, 2021 | 14 | 2021 |
Theoretical insights into the degradation mechanisms, kinetics and eco-toxicity of oxcarbazepine initiated by OH radicals in aqueous environments Y Sun, M Li, MH Hadizadeh, L Liu, F Xu Journal of Environmental Sciences 129, 189-201, 2023 | 10 | 2023 |
Investigation of OH radical in the water nanodroplet during vapor freezing process: An ab initio molecular dynamics study MH Hadizadeh, Z Pan, J Azamat Journal of Molecular Liquids 343, 117597, 2021 | 6 | 2021 |
Adsorption of toxic gases by an open nanocone coupled with an iron atom MH Hadizadeh, M Hamadanian Bulg. Chem. Commun 46 (3), 576-579, 2014 | 5 | 2014 |
OH/O3-initiated transformation of primidone in AOPs based on the theoretical calculations: Mechanisms, kinetics, and eco-toxicity assessments Y Sun, M Li, MH Hadizadeh, F Xu Journal of Environmental Chemical Engineering 11 (1), 109167, 2023 | 4 | 2023 |
A new insight into the interaction of hydroxyl radical with supercooled nanodroplet in the atmosphere MH Hadizadeh, Z Pan, J Azamat Journal of Molecular Liquids 359, 119261, 2022 | 4 | 2022 |
First results from the interaction between hydroxyl radicals and condensed water droplets: A spin-polarized DFT-MD study MH Hadizadeh, F Xu Journal of Molecular Liquids 393, 123557, 2024 | 3 | 2024 |
The effects of the gas–liquid interface and gas phase on Cl/ClO radical interaction with water molecules Q Zhang, MH Hadizadeh, Y Hu, X Zhang, Z Su, Z Wu, X Wang, F Xu, ... Physical Chemistry Chemical Physics 25 (34), 23296-23305, 2023 | 3 | 2023 |
Theoretical perspectives on the gas-phase oxidation mechanism and kinetics of carbazole initiated by OH radical in the atmosphere Z Teng, X Wang, MH Hadizadeh, Y Han, X Zhao, Q Zhang, H Wang, Y Li, ... Atmosphere 13 (7), 1129, 2022 | 3 | 2022 |
Effect of Water Molecule on the Complete Series Reactions of Chlorothiobenzenes with H/· OH: A Theoretical Study Y Han, S Zheng, Z Teng, MH Hadizadeh, Q Zhang, F Xu, Y Sun Atmosphere 13 (5), 849, 2022 | 3 | 2022 |
The effect of water molecules and air humidity on the cluster formation from benzoic acid with sulfuric acid/ammonia/dimethylamine: A molecular-scale investigation H Wang, X Wang, Y Hu, Z Su, X Zhang, Q Zhang, MH Hadizadeh, X Zhao, ... Journal of Molecular Liquids 390, 123001, 2023 | 2 | 2023 |
The homogeneous gas-phase formation mechanism of PCNs from cross-condensation of phenoxy radical with 2-CPR and 3-CPR: a theoretical mechanistic and kinetic Study Z Teng, Y Han, S He, MH Hadizadeh, Q Zhang, X Bai, X Wang, Y Sun, ... International Journal of Molecular Sciences 23 (11), 5866, 2022 | 2 | 2022 |
Evaluation of corrosion inhibition efficiency of some novel Schiff bases through a proposed QSAR model: DFT investigations supported by weight loss technique M Hadizadeh, M Hamadanian Int. J. Corros. Scale Inhib 10 (4), 1516-1530, 2021 | 2 | 2021 |
DFT study of carbon monoxide adsorption on zinc oxide nanocone M Hadizadeh Bulg. Chem. Commun 48 (1), 105, 2016 | 2 | 2016 |
Degradation and adsorption of SF 6 decomposition components using AlN nanocones: a combined DFT and ab initio molecular dynamics study MH Hadizadeh, Y Hu, F Xu, W Wang Environmental Science: Nano, 2024 | 1 | 2024 |
Theoretical investigation on the transformation of ketamine initiated by⋅ OH/SO4−⋅ in aqueous solution: Mechanisms, kinetics and ecotoxicity assessment Y Sun, M Li, B Pan, J Li, MH Hadizadeh, F Xu, Q Zhang, W Wang Journal of Environmental Chemical Engineering 11 (3), 110261, 2023 | 1 | 2023 |
HONO formation from the oxidation reactions of ClO, NO, and water in the gas-phase and at the air-water interface Q Zhang, MH Hadizadeh, X Wang, X Zhao, X Bai, F Xu, Y Sun Atmosphere 14 (1), 30, 2022 | 1 | 2022 |
DFT and AIMD insights into heterogeneous dissociation of 2-chlorothiophenol on CuO (111) surface: Impact of H2O and OH X Wang, MH Hadizadeh, W Wang, Y Hu, Y Zhou, F Xu, Y Sun, W Wang Chemosphere 359, 142228, 2024 | | 2024 |
Recognizing the function of different silane coupling agents on MXene adsorption/barrier behavior in solvent-borne epoxy coatings: Experimental studies, density functional … S Pourhashem, MH Hadizadeh, X Ji, Z Zhou, J Duan, X Ci, H Lu, B Hou Progress in Organic Coatings 192, 108453, 2024 | | 2024 |
Periodic DFT calculations for the heterogeneous formation of 2-chlorothiophenoxy radical from 2-chlorothiophenol on Cu (111) surface in fly ash X Wang, Y Han, MH Hadizadeh, W Wang, Q Zhang, Y Hu, F Xu, Y Sun, ... Ecotoxicology and Environmental Safety 274, 116186, 2024 | | 2024 |