Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 29(23), p. 15522-15542, 2021
DOI: 10.1039/d1cp02201f
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Learning to fly: thermochemistry of energetic materials by modified thermogravimetric analysis and highly accurate quantum chemical calculations
Journal article published in 2021 by
Nikita V. Muravyev 
,
Konstantin A. Monogarov ,
Igor N. Melnikov ,
Alla N. Pivkina ,
Vitaly G. Kiselev
,
Konstantin A. Monogarov ,
Igor N. Melnikov ,
Alla N. Pivkina ,
Vitaly G. Kiselev
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Abstract
The solid-state formation enthalpies of 63 CHNO energetic compounds were obtained as complementary combinations of the gas-phase thermochemistry from predictive quantum chemical calculations and the phase change data from advanced thermogravimetry.