A simulation of the photoinitiated unimolecular dissociation of the trans-HOCO conformer in the vOH=3 overtone. Thus, the dynamics calculation was performed using a time-dependent wave packet propagation approach and a four-dimensional planar model. The results show that the OH+CO products were the dominant product channel despite the H+CO2 channel being energetically preferable.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry