Communication: A chemically accurate global potential energy surface for the HO+CO → H+CO2 reaction

We report a chemically accurate global potential energy surface for the HOCO system based on high-level ab initio calculations at similar to 35 000 points. The potential energy surface is shown to reproduce important stationary points and minimum energy paths. Quasi-classical trajectory calculations indicated a good agreement with experimental data. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3680256]