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. 2023 May 16;8(21):18851–18862. doi: 10.1021/acsomega.3c01160

Table 1. Comparison of the Peak Positions in the Calculated HTPB Radial Distribution Function with Reference Values.

HTPB C–H (Å) C=C (Å) C–C (Å)
reference23 1.13 1.37 1.53
ReaxFF-lg 0.96 1.35 1.52