Skip to main content
. 2023 May 22;19(20):6933–6991. doi: 10.1021/acs.jctc.3c00182

Figure 23.

Figure 23

Histogram of the number of iterations needed for optimizing each reaction path point in a set of 25 reactions.411 The total number of iterations, obtained by summing up all the products of number of iterations times number of points, is 3730 for RS-RFO and 1993 for RVO.