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Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures
Authors:Song Xiao-Shu
Abstract:The total internal partition sums were calculated in the productapproximation at temperatures up to 5000,K for the asymptoticasymmetric-top HO$_{2}$ molecule. The calculations of the rotationalpartition function and the vibrational partition function werecarried out with the rigid-top model and in the harmonic oscillatorapproximation, respectively. Our values of the total internalpartition sums are consistent with the data of HITRAN database with$-$0.14{%} at 296,K. Using the calculated partition functions, wehave calculated the line intensities of $nu _{2}$ band of HO$_{2}$at several high temperatures. The results showed that the calculatedline intensities are in very good agreement with those of HITRANdatabase at temperatures up to 3000,K, which provides a strongsupport for the calculations of partition functions and lineintensities at high temperatures. Then we have extended thecalculation to higher temperatures. The simulated spectra of$nu_{2}$ band of the asymptotic asymmetric-top HO$_{2}$ molecule at4000 and 5000,K are also obtained.
Keywords:asymptotic asymmetric-topmolecule   line intensities   partition functions   hightemperature
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