Electronics Charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of some Nitramines

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F03%3A00000975" target="_blank" >RIV/00216275:25310/03:00000975 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Electronics Charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of some Nitramines
Original language description
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.
Czech name
Electronics Charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of some Nitramines
Czech description
Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.

Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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