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. 2023 Oct 16;7(11):2275–2286. doi: 10.1021/acsearthspacechem.3c00196

Table 1. Fitting Parameters for the ECC (eq 1).

bond fitted state Decorr/a.u. a/a.u. b/a.u. c/a.u.
C–Cl S0 0.03473471 0.76227003 3.05419933 0.00327769
C–Cl S1 0.03473471 1.27833752 2.97967498 0.02708953
C–C S0 0.02629121 1.06784164 2.66783831 0.00375042