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Table 3

Excess of reactivity calculated with the TRIPOLI4® code for the MISTRAL-1 configuration at 20 °C. The differences Ci − C1 are calculated by using the result obtained with the official T4 library as reference.

Thermal scattering law for H in H2O Ci − E Ci − C1
C1 Official T4 library based on JEFF-3.1.1 196 ± 10 pcm
C2 H(H2O) of the official T4 library is replaced by
1H generated with the Free Gas Model
(no THERMR processing)
958 ± 10 pcm +762 ± 14 pcm
C3 H(H2O) of the official T4 library is replaced by
H(H2O) generated from THERMR
187 ± 10 pcm -9 ± 14 pcm
C4 H(H2O) of the official T4 library is replaced by
H(H2O) generated from LEAPR+THERMR
186 ± 10 pcm -10 ± 14 pcm

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