Articles with "chemistry dft" as a keyword



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Combined crystal chemistry and DFT studies of ThNCl and Th2N2X (X: chalcogen) behaving as pseudo-binaries

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Published in 2018 at "Solid State Sciences"

DOI: 10.1016/j.solidstatesciences.2017.11.010

Abstract: Abstract Common features and peculiar differentiations characterize binary and ternary thorium nitride Th3N4, thorium nitride chloride ThNCl and the family of thorium nitride chalcogenides Th2N2X (X = O, S, Se, Te) investigated in the framework of the… read more here.

Keywords: combined crystal; chemistry dft; dft; chemistry ... See more keywords