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Using first-principles metadynamics simulation to predict new phases and probe the phase transition of NaAlH4

Jianjun Liu1, Qingfeng Ge

  • 1Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|August 16, 2011
PubMed

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