A comprehensive DFT–QTAIM study on Mg–H interactions in MgH<math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si48.svg" display="inline" id="d1e976" class="math"><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math> crystal

· · 来源:tutorial资讯

Source: Computational Materials Science, Volume 267

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