Article ID Journal Published Year Pages File Type
5379983 Chemical Physics Letters 2015 8 Pages PDF
Abstract

- Simulated absorption and emission spectra matched the experimental ones well.
- The HT and Duschinsky effects were essential to weak vibrational transitions.
- Anharmonic correction is important.
- The possible reasons for mirror symmetry breakdown were discussed.
- The simulated vibrational modes were confirmed and tentatively assigned.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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