Theoretical Study for High-Energy-Density Compounds Derived from Cyclophosphazene. IV. DFT Studies on 1,1-Diamino-3,3,5,5,7,7-hexaazidocyclotetraphosphazene and Its Isomers

In the present study, a theoretical study of 1,1-diaminohexaazidocyclotetraphophazene (DAHA) and its isomers has been performed, using quantum computational density functional theory (B3LYP and B3PW91 methods) with 6-31G* and 6-31G** basis sets implemented in Gaussian 03 program suite. Molecular str...

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Detalles Bibliográficos
Autores principales: Zhang, Jianguo, Zheng, Huihui, Zhang, Tonglai, Wu, Man
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2741615/
https://www.ncbi.nlm.nih.gov/pubmed/19756156
http://dx.doi.org/10.3390/ijms10083502

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2741615/
https://www.ncbi.nlm.nih.gov/pubmed/19756156
http://dx.doi.org/10.3390/ijms10083502

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