Nonadiabatic calculations of ultraviolet absorption cross section of sulfur monoxide: isotopic effects on the photodissociation reaction.

@article{Danielache2014NonadiabaticCO,
  title={Nonadiabatic calculations of ultraviolet absorption cross section of sulfur monoxide: isotopic effects on the photodissociation reaction.},
  author={Sebastian O Danielache and Suzuki Tomoya and Alexey Kondorsky and Ikuo Tokue and Shinkoh Nanbu},
  journal={The Journal of chemical physics},
  year={2014},
  volume={140 4},
  pages={044319}
}
Ultraviolet absorption cross sections of the main and substituted sulfur monoxide (SO) isotopologues were calculated using R-Matrix expansion technique. Energies, transition dipole moments, and nonadiabatic coupling matrix elements were calculated at MRCI/AV6Z level. The calculated absorption cross section of (32)S(16)O was compared with experimental spectrum; the spectral feature and the absolute value of photoabsorption cross sections are in good agreement. Our calculation predicts a long… CONTINUE READING

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