Exploring the structural, electronic, and hydrogen storage properties of hexagonal boron nitride and carbon nanotubes: insights from single-walled to doped double-walled configurat... von Sakr, Mahmoud A. S., Abdelsalam, Hazem, Teleb, Nahed H., Abd-Elkader, Omar H., Zhang, Qinfang

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Electronic and optical properties of chemically modified 2D GaAs nanoribbons von Sakr, Mahmoud A. S., Saad, Mohamed A., Abdelsalam, Hazem, Teleb, Nahed H., Zhang, Qinfang

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Promising sensors for pharmaceutical pollutant adsorption using Clar’s goblet-based 2D membranes von Sakr, Mahmoud A. S., Saad, Mohamed A., Abd-Elkader, Omar H., Abdelsalam, Hazem, Zhang, Qinfang

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Electronic and Optical Properties of Finite Gallium Sulfide Nano Ribbons: A First-Principles Study von Abd-Elkader, Omar H., Abdelsalam, Hazem, Sakr, Mahmoud A. S., Teleb, Nahed H., Zhang, Qinfang

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Quinoline-Based Materials: Spectroscopic Investigations as well as DFT and TD-DFT Calculations von Sakr, Mahmoud A. S., El-Daly, Samy A., Ebeid, El-Zeiny M., Al-Hazmy, Sadeq M., Hassan, Mohammed

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Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications von Sakr, Mahmoud A. S., Sherbiny, Farag F., El-Etrawy, Abd-Allah Sh

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Chemically modified covalent organic frameworks for a healthy and sustainable environment: First-principles study von Saad, Mohamed A., Sakr, Mahmoud A.S., Saroka, Vasil A., Abdelsalam, Hazem

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First-Principles Study of MoS2, WS2, and NbS2 Quantum Dots: Electronic Properties and Hydrogen Evolution Reaction von Abd-Elkader, Omar H., Abdelsalam, Hazem, Sakr, Mahmoud A. S., Shaltout, Abdallah A., Zhang, Qinfang

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Plasmonic Surface of Metallic Gold and Silver Nanoparticles Induced Fluorescence Quenching of Meso-Terakis (4-Sulfonatophenyl) Porphyrin (TPPS) and Theoretical–Experimental Compara... von Aboalhassan, Ahmed A., El-Daly, Samy A., Ebeid, El-Zeiny M., Sakr, Mahmoud A. S.

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Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs) von Sakr, Mahmoud A.S., Saad, Mohamed A.

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Investigating adsorption characteristics and electronic properties of Clar’s Goblet and beyond von Sakr, Mahmoud A.S., Abdelsalam, Hazem, Teleb, Nahed H., Abd-Elkader, Omar H., Saroka, Vasil A., Zhang, Qinfang

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Unlocking the potential of borophene nanoribbons for efficient hydrogen storage von Sakr, Mahmoud A.S., Abdelsalam, Hazem, Abd-Elkader, Omar H., Abdelrazek, Ghada M., Teleb, Nahed H., Zhang, Qinfang

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Exploring the Potential of Chemically Modified Graphyne Nanodots as an Efficient Adsorbent and Sensitive Detector of Environmental Contaminants: A First Principles Study von Sakr, Mahmoud A. S., Saad, Mohamed A., Saroka, Vasil A., Abdelsalam, Hazem, Zhang, Qinfang

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2D biphenylene-based nanostructures as prospective drug delivery carriers of carvedilol and levosim: DFT study von Abdelsalam, Hazem, Sakr, Mahmoud A.S., Abdelrazek, Ghada M., Teleb, Nahed H., Abd-Elkader, Omar H., Zhang, Qinfang

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Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties von Sakr, Mahmoud A. S., Saad, Mohamed A., Abdelsalam, Hazem, Abd-Elkader, Omar H., Aleya, Lotfi, Zhang, Qinfang

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Spectroscopic investigation, DFT and TD-DFT calculations of 7-(Diethylamino) Coumarin (C466) von Gawad, Sayed A. Abdel, Sakr, Mahmoud A.S.

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Magnetic properties of laterally connected super-zethrene chains: Insights from spin-polarized calculations von Sakr, Mahmoud A.S., Abd-Elkader, Omar H., Abdelsalam, Hazem, Zhang, Qinfang

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1,2,4-Triazine-based Materials: Spectroscopic Investigation, DFT, NBO, and TD-DFT Calculations as Well As Dye-sensitized Solar Cells Applications von Sakr, Mahmoud A. S., Kana, Maram T. H. Abou

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MXenes quantum dots for efficient pesticide adsorbents: A first principal study of the adsorption capability von Sakr, Mahmoud A.S., Saad, Mohamed A., Abdelsalam, Hazem, Zhang, Qinfang

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GeSe nanoclusters as potential drug delivery agent for anti-cancer drugs: First-principles study von Abdelsalam, Hazem, Sakr, Mahmoud A.S., Abd-Elkader, Omar H., Liu, Yushen, Zhang, Qinfang

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