Correction to: Molecular modeling as a design tool for sunscreen candidates: a case study of bemotrizinol

Correction to: Journal of Molecular Modeling (2019) 25:362

https://doi.org/10.1007/s00894-019-4237-7

The original version of this article unfortunately contained mistakes. Table 1 was missing and the presentation of Table 2 was incorrect. In Table 2, the second [λexp (nm)] and last [MAD^a] columns, many values are wrongly in the same cell/line. For example, in column 2, line 2, the first number (342) should be above the other (318). In the version published, these values are together (342318). This error repeats in column 2, lines 3-4 and last column, lines 2-4. The corrected tables are given below.

Table 1 Total energy (eV) and structural parameters^a of the three lower energy geometries (conf 1–3) of each triazine derivatives (A–D) obtained by ground-stated optimization at DFT/B3LYP/6-31G(d)

Table 2 Transitions (eV/nm) and oscillator strength (f) calculated for the ten lowest states in gas phase, the experimental absorption maxima (λexp) in ethanol [17] and the mean absolute deviation (MAD)^a between the experimental (λexp) and calculated (λcalc)^b absorptions maxima for the UVA and UVB ranges of derivatives A-D

The original article has been corrected.