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B12Hn and B12Fn: Planar vs Icosahedral Structures
B12Hn B12Fn Planar Icosahedral Structures
2012/2/28
Using density functional theory (DFT) and quantum Monte Carlo (QMC) calculations we show that the B12Hn and B12Fn (n = 0-4) quasi-planar structures are energetically more favorable than the correspond...