Destructive effect of magnesium and calcium atoms on TEX
The interaction of TEX (an explosive recently attracts attention) with Mg and Ca atom(s) has been investigated within the limitations of density functional theory at the level of B3LYP/6-311++G(d,p). The effect of Mg in 1:1 mol ratio is very drastic on TEX and one of the NO2 moieties is expelled as...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co., Ltd.
2017-10-01
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| Series: | Defence Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2214914716301052 |