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- W2011501827 abstract "A quantum dynamics study is performed to examine the complex nuclear motion underlying the first photoelectron band of methane. The broad and highly overlapping structures of the latter are found to originate from transitions to the ground electronic state, documentclass[12pt]{minimal}begin{document}$widetilde{X},^2T_2$end{document}X̃T22, of the methane radical cation. Ab initio calculations have also been carried out to establish the potential energy surfaces for the triply degenerate electronic manifold of documentclass[12pt]{minimal}begin{document}${rm CH}_4^+$end{document} CH 4+. A suitable diabatic vibronic Hamiltonian has been devised and the nonadiabatic effects due to Jahn-Teller conical intersections on the vibronic dynamics investigated in detail. The theoretical results show fair accord with experiment." @default.
- W2011501827 created "2016-06-24" @default.
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- W2011501827 date "2011-11-04" @default.
- W2011501827 modified "2023-10-17" @default.
- W2011501827 title "The Jahn-Teller effect in the triply degenerate electronic state of methane radical cation" @default.
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- W2011501827 doi "https://doi.org/10.1063/1.3658641" @default.
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