Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg(BH4)2

Riccarda Caputo, Arkadiusz Kupczak, Wieslawa Sikora, Adem Tekin
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c2cp43090h
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