Movie S3C.
Conversion from the water-loop–containing isomer 5σ to the highly populated isomer 5Y in the AIMD simulation starting from isomer 5D.
Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations
PNAS. 2016. 113:4629-4633 DOI: 10.1073/pnas.1601651113