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. 2023 Jul 25;127(30):6282–6291. doi: 10.1021/acs.jpca.3c03744

Table 2. BCP Potential Energy Densities of H+KPGG Hydrogen Bondsa.

H-bond K-trans-1 Nt-cis-1
1 –0.0474 –0.0822
2 –0.0187 –0.0408
3 –0.0146 –0.0272
a

Reported in a.u., hydrogen bonds numbered as in Figure 2.