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REGs with the largest absolute magnitude calculated for barrier 2 (R ≥ 1.95 Å)
| Terms | REG | Pearson corr. |
|---|---|---|
| Vcl_Pair_h3_o4 | 13.6 | 0.99 |
| Vcl_Pair_o1_h5 | 7.1 | 1.00 |
| Vcl_Pair_o1_h6 | 7.1 | 1.00 |
| Vcl_Pair_o1_h3 | 6.1 | 0.98 |
| Vcl_Pair_h2_o4 | 4.7 | 1.00 |
| Vxc_Pair_h3_o4 | 2.9 | 0.96 |
| Vcl_Pair_o4_h5 | 1.8 | 0.98 |
| Vcl_Pair_o4_h6 | 1.8 | 0.98 |
| … | … | … |
| Eintra_o4 | −3.0 | −0.95 |
| Vxc_Pair_o1_h3 | −4.0 | −0.97 |
| Vcl_Pair_h3_h6 | −5.9 | −0.99 |
| Vcl_Pair_h3_h5 | −5.9 | −0.99 |
| Vcl_Pair_o1_o4 | −15.0 | −1.00 |
