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. 2015 Apr 16;6(7):3853–3862. doi: 10.1039/c4sc03897e

Table 1. Theoretical vs. experimental CD responses a .

Condition λ/nm 106 ΔA/A
Calc. Expt
LCP 355 d 316 b –37 –38
418 c +44 +34
PP 355 316 b –28 –26
LCP 532 d 418 c +24 +21
RCP 355 316 b –72 –62
LCP 532 e 418 c +61 +56

aMeasured and predicted ΔA/A from the TDDFT g-factors (see ESI, Section S7.4).

bΔA316/A316 is read from Fig. 5 and scaled according to the ratio of extinction coefficients at 418 nm and 316 nm from Fig. 4.

cThe experimental ΔA418/A418 at 418 nm is read directly from Fig. 5.

dMagnitude determined from the average absolute value for RCP and LCP in Fig. 5a.

eDetermined directly from Fig. 5b.