Detail publikačního výsledku

Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines

ZEMAN, S.

Originální název

Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines

Anglický název

Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines

Druh

Stať ve sborníku v databázi WoS či Scopus

Originální abstrakt

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of DFT B3LYP/6-31G** method. The relationships have been confirmed and these directly specify the most reactive nitro groups.

Anglický abstrakt

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of DFT B3LYP/6-31G** method. The relationships have been confirmed and these directly specify the most reactive nitro groups.

Klíčová slova v angličtině

electronic charges, nitro groups, sensitivities, nitramines

Autoři

ZEMAN, S.

Vydáno

01.10.2003

Nakladatel

Beijing Institute of Technology

Místo

Beijing

Kniha

Proc. 2003 IASPEP

Strany od

710

Strany počet

9

BibTex

@inproceedings{BUT11080,
  author="Svatopluk {Zeman}",
  title="Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines",
  booktitle="Proc. 2003 IASPEP",
  year="2003",
  pages="9",
  publisher="Beijing Institute of Technology",
  address="Beijing"
}