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,...

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Detalles Bibliográficos
Autores principales: Wang, Linyuan, Zhang, Miao, Chen, Jie, Su, Liang, Zhao, Shicao, Zhang, Chaoyang, Liu, Jian, Chen, Chunyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6983118/
https://www.ncbi.nlm.nih.gov/pubmed/31906099
http://dx.doi.org/10.3390/molecules25010161

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