A Reaction Dataset for Interstellar Molecules via Global Exploration of Isomerization Pathways and Dissociation Channels: HNCNH, HC3N, c-C3H2, H2CNH, HCOOH, and H2C2O

This dataset includes single-point calculation results, conformational exploration outcomes, and coordinates for all EQ, TS, and DC structures used in A Reaction Dataset for Interstellar Molecules via Global Exploration of Isomerization Pathways and Dissociation Channels: HNCNH, HC3N, c-C3H2, H2CNH, HCOOH, and H2C2O. New version is Navigating Chemical Space Through Isomerization Networks and Intermolecular Encounters of Seven Five-Atom Organic Species, via https://doi.org/10.5281/zenodo.16960327