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Corrections of Molecular Morphology and Hydrogen Bond for Improved Crystal Density Prediction
Density prediction is of great significance for molecular design of energetic materials, since detonation velocity linearly with density and detonation pressure increases with the density squared. However, the accuracy and generalization of former reported prediction models need further improvement,...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6983118/ https://www.ncbi.nlm.nih.gov/pubmed/31906099 http://dx.doi.org/10.3390/molecules25010161 |