Theoretical studies on the thermodynamic properties and detonation properties of cyclotrimethylene trinitramine (RDX) with aluminum and boron metals.
The B3LYP/6-311++G(2df,2p) density functional theory (DFT) method was used to investigate molecular geometry and thermodynamic properties of RDX and RDX derivatives containing Al and B metals. The detonation velocity (D) and detonation pressure (P), estimated by using Kamlet–Jacobs and in literature...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Turkish Chemical Society
2016-10-01
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| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
| Subjects: | |
| Online Access: | http://dergipark.gov.tr/jotcsa/issue/27290/287301?publisher=turchemsoc |