Navigating Chemical Space Through Isomerization Networks and Intermolecular Encounters of Seven Five-Atom Organic Species

Complete structural coordinates from ADDF calculations, MC-AFIR collision product libraries, and BOMD trajectory files for Navigating Chemical Space Through Isomerization Networks and Intermolecular Encounters of Seven Five-Atom Organic Species, authored by Dapeng Zhang, Naoki Kishimoto. Seven five-atom interstellar species: carbodiimide [HNCNH], cyanoacetylene [HC₃N], cyclopropenylidene [c-C₃H₂], methanimine [H₂CNH], formic acid [HC(O)OH], ketene [H₂C₂O], and protonated cyanogen [NCCNH⁺] Five collision reactants: H₂O, HCl, HCN, HF, and NH₃