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Unsupervised learning-based multiscale model of thermochemistry in 1,3,5-trinitro-1,3,5-triazine (RDX)
Unsupervised learning-based multiscale model of thermochemistry in 1,3,5-trinitro-1,3,5-triazine (RDX)
2021
Michael Sakano
Ahmed Hamed
Edward M. Kober
Nicolò Grilli
Brenden W. Hamilton
Islam
Marisol Koslowski
Alejandro Strachan
Keywords:
Computational chemistry
Thermochemistry
Unsupervised learning
1,3,5-Triazine
Chemistry
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