THEORETICAL STUDIES ON TRIACETONETRIPEROXIDE (TATP) DERIVATIVES TO IMPROVE THEIR PERFORMANCE

THEORETICAL STUDIES ON TRIACETONETRIPEROXIDE (TATP) DERIVATIVES TO IMPROVE THEIR PERFORMANCE

Density functional theory (DFT) methods are used to study on TATP derivatives at DFT-B3LYP/6-311++G (d, p) level to improve TATP’s performance. The derivatives are 3,6,9-trimethyl-3,6,9-tris(trifluoromethyl)-1,2,4,5,7,8-hexaoxonane (TATP3F), 3,6,9-trimethyl-3,6,9-tris(nitromethyl)-1,2,4,5,7,8-hexaox...

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Bibliographic Details
Main Authors: Zongcheng Miao, Faan Li, Yi Luan
Format: Article
Language:English
Published: Sociedade Brasileira de Química
Series:Química Nova
Subjects:
TATP
density functional theory (DFT)
detonation performance
sensitivities
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019000100022&lng=en&tlng=en

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