“…3 and 5 puts in evidence the similarity between the torus-like disynaptic V(C,As) basins for optimized structures of: HCN, H 2 CNH, and H 3 CNH 2 (first column); HCP, H 2 CPH, and H 3 CPH 2 (second column) and HCAs, H 2 CAsH, and H 3 CAsH 2 (third column). Core basins are represented in magenta, valence monosynaptic in red, protonated disynaptic in light blue, and valence disynaptic in green of compounds (1) to (5), and the ones present in HC:N and its homologues. The V(C,As) basin of compound (6) departs from the cylindrical symmetry that characterizes the same basin in compounds (1) to (5) (see Figure S1, Supporting Information for a better view of this basin).…”