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The Raman and IR vibration modes of metal pentazolate hydrates [Na(H2O)(N5)]·2H2O and [Mg(H2O)6(N5)2]·4H2O

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Published in 2020 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-020-4345-4

Abstract: The detailed illustrations of the structures, elastic properties, and Raman and IR vibration modes for [Na(H2O)(N5)]·2H2O (a) and [Mg(H2O)6(N5)2]·4H2O (b) have been presented in this investigation by using the first-principles method based on the density… read more here.

Keywords: raman vibration; vibration; 2h2o h2o; h2o 2h2o ... See more keywords