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• W2410518780 abstract "The X̃(2)B1 ← X̃(1)A1 photoelectron spectra of ketene and its doubly deuterated isotopologue have been computed from correlated vibrational wave functions as determined from vibrational configuration interaction theory relying on multidimensional Born-Oppenheimer potential energy surfaces being obtained from explicitly correlated coupled-cluster calculations. Duschinsky effects were accounted for in all cases. Excellent agreement with available experimental data was achieved." @default.
• W2410518780 created "2016-06-24" @default.
• W2410518780 creator A5059809076 @default.
• W2410518780 date "2015-10-05" @default.
• W2410518780 modified "2023-10-18" @default.
• W2410518780 title "Anharmonic Franck–Condon Factors for the X̃²B₁ ← X̃¹A₁ Photoionization of Ketene" @default.
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• W2410518780 doi "https://doi.org/10.1021/acs.jpca.5b06922" @default.
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