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Molecular and Crystal Features of Thermostable Energetic Materials: Guidelines for Architecture of “Bridged” Compounds

[Image: see text] Extensive density functional theory (DFT) calculation and data analysis on molecular and crystal level features of 60 reported energetic materials (EMs) allowed us to define key descriptors that are characteristics of these compounds’ thermostability. We see these descriptors as re...

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Detalles Bibliográficos
Autores principales:	Li, Hui, Zhang, Lei, Petrutik, Natan, Wang, Kangcai, Ma, Qing, Shem-Tov, Daniel, Zhao, Fengqi, Gozin, Michael
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6978839/ https://www.ncbi.nlm.nih.gov/pubmed/31989026 http://dx.doi.org/10.1021/acscentsci.9b01096

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