A Comparative Density Functional Theory and Density Functional Tight Binding Study of Phases of Nitrogen Including a High Energy Density Material N8

Author: Capel Nicholas   Bharania Devang   Manzhos Sergei  

Publisher: MDPI

E-ISSN: 2079-3197|3|4|574-585

ISSN: 2079-3197

Source: Computation, Vol.3, Iss.4, 2015-11, pp. : 574-585

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Abstract