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Shabbir Muhammad

King Khalid University
Center for Advanced Materials
Osaka University

200

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3165

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First-principles study of the structural and optoelectronic properties of ANbO3 (A = Na, K and Rb) in four crystal phases

2022 Materials Science in Semiconductor Processing
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Effect of S, Se and Te replacement on structural, optoelectronic and transport properties of SrXO4 (X= S, Se, Te) for energy applications: A first principles study

2022 Journal of Solid State Chemistry
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Effect of Nb, Ta and V replacements on electronic, optical and elastic properties of NbCu3Se4: A GGA+U study

2021 Journal of Solid State Chemistry
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A DFT+U Study of the Effect of Transition Metal Replacements on Optoelectronic and Elastic Properties of TmCu3S4 (Tm= V, Ta, Nb)

2021 Optik
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Investigation analysis of optoelectronic and structural properties of cis‐ and trans‐structures of azo dyes: density functional theory study

2021 Journal of Physical Organic Chemistry
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DFT study of superhalogen (AlF4) doped boron nitride for tuning their nonlinear optical properties

2021 Optik
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Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies.

2021 Bioorganic & Medicinal Chemistry Letters
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Catalytic Oxidation of Toluene into Benzaldehyde and Benzyl Alcohol Using Molybdenum-Incorporated Manganese Oxide Nanomaterials.

2021
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Hydrothermal synthesis of an efficient and visible light responsive pure and strontium doped zinc oxide nano-hexagonal photocatalysts for photodegradation of Rhodamine B dye

2021 Applied Nanoscience
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Designing and Encapsulation of Inorganic Al12N12 Nanoclusters with Be, Mg, and Ca Metals for Efficient Hydrogen Adsorption: A Step Forward Towards Hydrogen Storage Materials

2021
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