Article ID Journal Published Year Pages File Type
5394902 Computational and Theoretical Chemistry 2011 6 Pages PDF
Abstract
► We apply a vibronic coupling model to simulate the absorption spectrum of SO2 molecule. ► It is based on the Taylor expansion of the diabatic potentials at ground electronic state. ► The gas phase spectrum has been calculated in the 2400-3400 Å region.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical investigation of absorption spectrum of SO2 molecule: Including S1-S2 vibronic coupling
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