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- W2012084745 abstract "I report vibrational energies of non-rotating HO2 for even and odd parity states up to 17027 cm−1 using the dressed-state truncation/recoupling method [J.M. Bowman and B. Gazdy, J. Chem. Phys. 94 (1991) 454]. The potential surface used in the double many-body expansion one of Varandas and Brandão, for which the isomerization barrier height is 12039 cm−1. Based on the behavior of the odd—even energy splittings as a function of vibrational energy, evidence is presented that the ground state adiabiatic barrier height is the meaningful quantity determining the threshold energy for isomerization. Localized states, i.e. those with very small splittings, are found at energies greatly in excess of the ground-state adiabatic barrier height." @default.
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- W2012084745 date "1991-05-01" @default.
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- W2012084745 title "Vibrational energies and wavefunctions of high energy localized and floppy states of non-rotating HO2" @default.
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- W2012084745 doi "https://doi.org/10.1016/0009-2614(91)87148-5" @default.
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