Skip to main content
. 2014 Mar 12;10(4):1518–1537. doi: 10.1021/ct401002w

Figure 4.

Figure 4

Potential energy curves for selected noncovalent interactions involving sulfur atoms studied in ref (72). The format is similar to Figure 2 of ref (72). Although the artificially attractive interaction remains with DFTB3/3OB, the magnitude of interaction is significantly reduced compared to DFTB3/MIO.