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Fizika Goreniya i Vzryva, 2007, Volume 43, Issue 5, Pages 77–81 (Mi fgv1530)  
This article is cited in 31 scientific papers (total in 31 papers)

Multilevel quantum chemical calculation of the enthalpy of formation of [1,2,5]oxadiazolo[3,4-e][1,2,3,4]-tetrazine-4,6-di-N-dioxide

V. G. Kiselevab, N. P. Gritsanab, V. E. Zarkoab, P. I. Kalmykovc, V. A. Shandakovc

a Institute of Chemical Kinetics and Combustion, Siberian Division, Russian Academy of Sciences, Novosibirsk, 630090
b Novosibirsk State University, Novosibirsk, 630090
c Federal Scientific and Production Center, Altai, Biisk, 659322
Citations (31)
Abstract: The enthalpy of formation in the standard state for the promising novel energetic material [1,2,5]oxadiazolo[3,4-e][1,2,3,4]-tetrazine-4,6-di-N-dioxide (furazano-1,2,3,4-tetrazine-1,3-dioxide) was calculated using a theoretically calculated value of the heat of formation in the gas phase and am experimentally measured value of the heat (enthalpy) of sublimation. The theoretical calculations were performed using the G2, G3, and CBS-QB3 high-accuracy multilevel quantum chemical techniques.
Keywords: furazano-1,2,3,4-tetrazine-1,3-dioxide, enthalpy of formation, enthalpy of sublimation, quantum chemical calculations.
Received: 25.11.2006
English version:
Combustion, Explosion and Shock Waves, 2007, Volume 43, Issue 5, Pages 562–566
DOI: https://doi.org/10.1007/s10573-007-0074-6
Bibliographic databases:
Document Type: Article
UDC: 536.66:541.27:541.369:541.394:547.72:547.88
Language: Russian
Citation: V. G. Kiselev, N. P. Gritsan, V. E. Zarko, P. I. Kalmykov, V. A. Shandakov, “Multilevel quantum chemical calculation of the enthalpy of formation of [1,2,5]oxadiazolo[3,4-e][1,2,3,4]-tetrazine-4,6-di-N-dioxide”, Fizika Goreniya i Vzryva, 43:5 (2007), 77–81; Combustion, Explosion and Shock Waves, 43:5 (2007), 562–566
Citation in format AMSBIB
\Bibitem{KisGriZar07}
\by V.~G.~Kiselev, N.~P.~Gritsan, V.~E.~Zarko, P.~I.~Kalmykov, V.~A.~Shandakov
\paper Multilevel quantum chemical calculation of the enthalpy of formation of [1,2,5]oxadiazolo[3,4-e][1,2,3,4]-tetrazine-4,6-di-N-dioxide
\jour Fizika Goreniya i Vzryva
\yr 2007
\vol 43
\issue 5
\pages 77--81
\mathnet{http://mi.mathnet.ru/fgv1530}
\elib{https://elibrary.ru/item.asp?id=16824511 }
\transl
\jour Combustion, Explosion and Shock Waves
\yr 2007
\vol 43
\issue 5
\pages 562--566
\crossref{https://doi.org/10.1007/s10573-007-0074-6}
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