Using large multireference configuration interaction wave functions, potential energy surfaces involved in the photodissociation of symmetric ClO2 to Cl+O2 are investigated.
Published: April 15, 2021
Citation
Peterson K.A., and H. Werner. 1996.The Photodissociation of ClO2: Potential Energy Surfaces of OClO->Cl + O2.Journal of Chemical Physics 105, no. 22:9823-9832.PNNL-SA-27530.doi:10.1063/1.472851