A comparative Density Functional Theory and Density Functional Tight Binding study of phases of nitrogen including a high energy density material N8

A comparative Density Functional Theory and Density Functional Tight Binding study of phases of nitrogen including a high energy density material N8

10.3390/computation3040574

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Bibliographic Details
Main Authors: Capel, N, Bharania, D, Manzhos, S
Other Authors: MECHANICAL ENGINEERING
Format: Article
Published: 2020
Online Access:https://scholarbank.nus.edu.sg/handle/10635/176002
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Institution: National University of Singapore
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