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A first-principles theoretical investigation of the structural, electronic and magnetic properties of cubic thorium carbonitrides ThCxN(1-x)

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DFT studies on electrochemical properties of halide ions doped GDY-28 nanoflake for Na-ion battery applications

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Functional Graphdiyne for Emerging Applications: Recent Advances and Future Challenges

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Computational study of Be, Mg and Ca decorated Si12B12 nanocages with proficient nonlinear optical properties

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