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Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitro..:

Lafourcade, P. ; Maillet, J.-B. ; Roche, J....
The Journal of Physical Chemistry C.  127 (2023)  31 - p. 15556-15572 , 2023
Link: https://doi.org/10.1021/acs.jpcc.3c02678