Low energy minima in the chlorate + 8H2O landscape from Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters
John C. Hey
Emily J. Doyle
Yuting Chen
Roy L. Johnston
10.6084/m9.figshare.5753415.v1
https://rs.figshare.com/articles/dataset/Low_energy_minima_in_the_chlorate_8H2O_landscape_from_Isomers_and_energy_landscapes_of_micro-hydrated_sulfite_and_chlorate_clusters/5753415
Structures and energies in kcal/mol for pictured low energy minima in the landscape for chlorate ions with 8 water molecules in XYZ format.
2018-01-03 16:17:13
sulfite
chlorate
water
gas-phase
hydration
nucleation