Computational study of lattice dynamics and thermodynamic properties of energetic solid cyanuric triazide
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DOI: 10.1016/j.jpcs.2020.109782
Abstract: Abstract The structural, vibrational and thermodynamic properties of the cyanuric triazide crystal is investigated through density functional theory (DFT) simulations within the dispersion corrected generalized gradient approximation (GGA + G06) by considering the norm conserving… read more here.
Keywords: cyanuric triazide; dynamics thermodynamic; study lattice; thermodynamic properties ... See more keywords