Study of the Chemical Properties of RDX High-Energy Element and its Derivatives with Different Nanostructures of Mass by Functional Density Theory
In this research, RDX energy derivatives with different carbon nanoparticles under different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, t...
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| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2017-09-01
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| Series: | International Journal of New Chemistry |
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| Online Access: | http://www.ijnc.ir/article_35337_db4e230fbf97915623859f84071d77e9.pdf |