- Tytuł:
- Contemplation on the protonation of TEX
- Autorzy:
- Türker, L.
- Powiązania:
- https://bibliotekanauki.pl/articles/358113.pdf
- Data publikacji:
- 2014
- Wydawca:
- Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
- Tematy:
-
TEX
explosives
ethers
acetals
decomposition
DFT calculations - Opis:
- The possibility of acid catalyzed decomposition of TEX, a well known explosive, is considered by investigating the stability of cations formed by protonation at different sites in the molecule. For this purpose, density functional theory has been employed at the B3LYP/6-31++G(d,p) and B3LYP/6-31G(d,p) levels. Various simple cations, as well as hydrogen-bridged cations of TEX and carbocations formed from protonated TEX, are considered which may undergo further acid catalyzed cleavage routes of the molecule.
- Źródło:
-
Central European Journal of Energetic Materials; 2014, 11, 2; 307-319
1733-7178 - Pojawia się w:
- Central European Journal of Energetic Materials
- Dostawca treści:
- Biblioteka Nauki
Artykuł