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First-principles density functional theory

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1 results in Keywords: First-principles density functional theory

Theoretical and Computational Chemistry

Hydrogen adsorption on magnesium-decorated (3, 3) and (5, 0) boron nitride nanotubes

Maryam Kosar, Mehdi Noura, Abbas Rahdar, John Trant

Version 1 posted 06 February 2023

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