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Showing 1 to 1 of 1 for “"Übergangsmetallnitride"”.
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Quantum chemistry and atomistic simulations of solid nitrides
The present thesis covers, at first, the binary nitrides of the the 3d transition metals. Based on their electronic band structures and bonding analyses for the sodium chloride as well as the zinc blend structure type it is then determined why the early nitrides crystallize in the NaCl structure …