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. 2020 Sep 29;11:4893. doi: 10.1038/s41467-020-18670-8

Table 1.

Energy and kinetic energy stabilizations for A–H bonds (in kcal/mol).

H–H Li–H [Be–H]+ HBe–H B–H C–H
ΔEPrep 0.0 0.0 0.0 0.0 12.6 16.4
ΔECov −66.0 −16.8 −19.2 −62.7 −35.4 −16.9
ΔECon −20.9 −2.2 −6.8 −11.4 −15.1 −19.6
ΔEPCT −8.4 −25.5 −32.4 −9.1 −22.9 −32.1
ΔTPrep 0.0 −0.3 0.7 −4.3 −15.0 −17.2
ΔTCov −97.0 −0.7 7.2 −31.1 −62.2 −93.1
ΔTCon 182.6 38.7 76.0 94.5 113.7 124.3
ΔTPCT 17.8 12.1 −9.5 34.6 51.1 72.5