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. 2022 Jul 21;13:4210. doi: 10.1038/s41467-022-31700-x

Table 2.

Parameters of the ab initio molecular dynamics simulations.

Conc. 0 M 2 M 4 M 6 M
V13 19.73 Å 20.25 Å 20.25 Å 20.23 Å
NH2O 256 258 244 224
NH+,NCl 0 10 20 30
τ 201 ps 52 ps 84 ps 84 ps
ΔtWC 2 fs 4 fs