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Chlorates and perchlorates as potential high-energy materials: chlorate- and perchlorate-substituted methanes
The structures and properties of thirty-three of the thirty-four possible chlorato-Cl-, chlorato-O- and perchlorato-derivatives of methane have been computed using the range-separated hybrid generalized gradient approximation density functional method ωB97X-D with the 6-311+G(2d,p) basis set. These...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6806408/ https://www.ncbi.nlm.nih.gov/pubmed/31692711 http://dx.doi.org/10.1016/j.heliyon.2019.e02686 |