Article ID Journal Published Year Pages File Type
5382142 Chemical Physics Letters 2013 4 Pages PDF
Abstract
► Vibronic interactions between the X and B electronic states has been theoretically investigated. ► KDC model has been employed. ► Coupling constants have been calculated within the adiabatic quadratic approach. ► The inclusion of the vibronic couplings makes crucial changes in the potential surfaces. ► The calculated asymmetric ν5 and ν6 fundamental energies agree with the experiment.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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