C2H2 + OH

Potential energy surface

(doubled-dashed lines represent TSs and thick solid lines for stable species)

Simplified PES for the C₂H₂ + OH system obtained at CBS-QB3 level of theory. The full PES can be found elsewhere (Carl, S. A.; Nguyen, H. M.; Elsamra, R. M.; Nguyen, M. T.; Peeters, J. J Chem Phys 2005, 122(11), 114307)

MSMC input/output: please click on the files below to download them!

MSMC results: