Article ID Journal Published Year Pages File Type
5383667 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► We determine global potential energy surfaces of SiCN in the ground state. ► We assign vibrational wave functions computed up to 360 levels for the ground state. ► The Renner parameters are evaluated for linear SiCN and SiNC. ► The Renner-Teller effect on the vibronic energy is negligible for the J = 1 states. ► The spin-orbit effects are negligible in the vibrational levels.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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