화학공학소재연구정보센터
Journal of Chemical Physics, Vol.111, No.5, 1972-1978, 1999
Quantum mechanical study of the vibrational relaxation of O-2(+) colliding with Kr
Coupled states calculations on the vibrational relaxation of O-2(+)(v=1) colliding with Kr are reported. In the first stage, calculations have been done on single potential energy surfaces and different surfaces have been used. Then treating O-2(+) as a molecule in a Pi ground electronic state, we have performed quantum scattering calculations on the vibrational relaxation on two 1 (2)A" and 1 (2)A(') surfaces. A significant effect due to the inclusion of the second potential surface is reported. A comparison of the calculated rate constants with available experimental data is made.