Computational studies of energetics, electronic structure, and vibrational spectra of PETN nanoparticles

Ma, QN; Zhu, WH

Zhu, WH (corresponding author), Nanjing Univ Sci & Technol, Sch Chem Engn, Inst Computat Mol & Mat Sci, Nanjing 210094, Peoples R China.

CANADIAN JOURNAL OF CHEMISTRY, 2021; 99 (1): 63

Abstract

The density functional tight binding method was used to explore the energetics, electronic structure, and vibrational spectra of pentaerythritol tetra......

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