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. 2021 Jan 11;26(2):342. doi: 10.3390/molecules26020342

Table 4.

Parameters of the three-body harmonic potentials used in this work.

Interaction k3b (eV rad−2) θ0 (deg) Cutoffs (Å)
OS-SiC-OS 2.09724 109.47 1.9 1.9 3.5
OS-AlC-OS 2.09724 109.47 1.9 1.9 3.5