Тип публикации: статья из журнала

Год издания: 2007

Идентификатор DOI: 10.1007/s10573-007-0074-6

Ключевые слова: Enthalpy of formation, Enthalpy of sublimation, Furazano-1,2,3,4-tetrazine-1,3-dioxide, Quantum chemical calculations, Formation enthalpy, Sublimation enthalpy, Enthalpy, Explosives, Nitrogen oxides, Phase transitions, Quantum chemistry

Аннотация: 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 Показать полностьюheat (enthalpy) of sublimation. The theoretical calculations were performed using the G2, G3, and CBS-QB3 high-accuracy multilevel quantum chemical techniques. © 2007 Springer Science+Business Media, Inc.

Журнал: Combustion, Explosion and Shock Waves

Выпуск журнала: Vol. 43, Is. 5

Номера страниц: 562-566

• Kiselev V.G. (Institute of Chemical Kinetics and Combustion, Siberian Division, Russian Academy of Sciences, Novosibirsk 630090, Russian Federation, Novosibirsk State University, Novosibirsk 630090, Russian Federation)
• Gritsan N.P. (Institute of Chemical Kinetics and Combustion, Siberian Division, Russian Academy of Sciences, Novosibirsk 630090, Russian Federation, Novosibirsk State University, Novosibirsk 630090, Russian Federation)
• Zarko V.E. (Institute of Chemical Kinetics and Combustion, Siberian Division, Russian Academy of Sciences, Novosibirsk 630090, Russian Federation)
• Kalmykov P.I. (Federal Scientific and Production Center, Altai, Biisk 659322, Russian Federation)
• Shandakov V.A. (Federal Scientific and Production Center, Altai, Biisk 659322, Russian Federation)

• Scopus