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Abstract The thermochemistry of phosphorus compounds containing 3 nerve gases, 1 insecticide, 65 inorganic neutral species and their ions, and 48 organic neutral and ion species, were calculated with the… Click to show full abstract
Abstract The thermochemistry of phosphorus compounds containing 3 nerve gases, 1 insecticide, 65 inorganic neutral species and their ions, and 48 organic neutral and ion species, were calculated with the DFT G3B3 composite method and reported (in the supplement) as 7 term NASA polynomials to be used for combustion simulation schemes. 49 of the species and ions are reported for the first time.
Keywords:
organic phosphorous;
thermochemistry inorganic;
inorganic organic;
ideal gas;
thermochemistry;
gas thermochemistry
Journal Title: Combustion and Flame
Year Published: 2017
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Journal Title: Combustion and Flame
Year Published: 2017
Link to full text (if available)
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recommendations!