Open simonom opened 3 months ago
Update nannoolal_primary.smarts so that group 16 can connect to any atom other than nitrogen, oxygen, chlorine, or fluorine, to be more generally applicable with Table 1 of Nannoolal et al. (2008): https://doi.org/10.1016/j.fluid.2008.04.020
Update nannoolal_primary.smarts so that group 16 can connect to any atom other than nitrogen, oxygen, chlorine, or fluorine, to be more generally applicable with Table 1 of Nannoolal et al. (2008): https://doi.org/10.1016/j.fluid.2008.04.020