The C(3P) + O2(3Σg−) → CO2 ↔ CO(1Σ+) + O(1D)/O(3P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K
Physical Chemistry Chemical Physics ; doi:10.1039/d1cp01101d
Abstract: Reaction and vibrational relaxation rate computed for C(3P) + O2(3Σg −) ↔ CO(1Σ+) + O(1D)/O(3P) for a wide range of temperatures using quasiclassical trajectory calculations on five new potential energy surfaces for different electronic states.
Keywords: 3Σg / vibrational relaxation / relaxation rates / electronic states / quasiclassical trajectory / using quasiclassical / temperatures using
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