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- W2084672012 abstract "The spin-rovibronic energy levels of the A2Π and B2Σ+ electronic states of thiocyanate radical have been calculated variationally, using high-level ab initio coupled diabatic potential energy surfaces. Computations up to J = 7/2 have been performed, obtaining all levels with K ⩽ 3 (documentclass[12pt]{minimal}begin{document}$Sigma _{frac{1}{2}},Pi _{frac{1}{2},frac{3}{2}},Delta _{frac{3}{2},frac{5}{2}},Phi _{frac{5}{2},frac{7}{2}}$end{document}Σ12,Π12,32,Δ32,52,Φ52,72), for energies up to 2000 cm−1 above the A(000)2Π3/2 level. The available experimental data have been critically reviewed in the light of the theoretical findings." @default.
- W2084672012 created "2016-06-24" @default.
- W2084672012 creator A5025071592 @default.
- W2084672012 date "2011-10-28" @default.
- W2084672012 modified "2023-09-24" @default.
- W2084672012 title "Vibronic coupling in the <i>A</i><sup>2</sup>Π and <i>B</i><sup>2</sup>Σ<sup>+</sup> electronic states of the NCS radical" @default.
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- W2084672012 doi "https://doi.org/10.1063/1.3655816" @default.
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