Theoretical insight into the temperature-dependent acetonitrile (ACN) solvent effect on the diacetone diperoxide (DADP)/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB) cocrystallization

Published 2016 View Full Article

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Title
Theoretical insight into the temperature-dependent acetonitrile (ACN) solvent effect on the diacetone diperoxide (DADP)/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB) cocrystallization
Authors
Keywords
Cocrystal, Molecular dynamics, Temperature, Solvent effect
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 121, Issue -, Pages 232-239
Publisher
Elsevier BV
Online
2016-05-20
DOI
10.1016/j.commatsci.2016.05.012

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