The calculated values of J (M⁻¹ cm⁻¹ nm⁴), K_SV (M⁻¹), E, R₀ (Å) and r (Å).

Specimen	J (M−1 cm−1 nm4)	K SV (M−1)	E	R 0 (Å)	r (Å)
S0	2.57 × 1013	4 × 104	32.1	24.2	27.4
S1	5.62 × 1014	6 × 104	44.2	40.6	42.2
S2	2.98 × 1015	9 × 104	54.1	53.3	51.8
S3	1.42 × 1016	1.2 × 105	64.3	69.5	63.1
S4	3.42 × 1016	3 × 105	79.3	139.3	111.6