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- W4254336810 abstract "Spectroscopic properties of H2O2–HO2 have been re-investigated by post Hartree–Fock methods including anharmonic vibrational effects through a second order perturbative approach. The results have been compared to recent experimental data. The very low barrier height computed for the conversion of the five-membered complex into its more stable six-membered counterpart (27 cm−1) explains why only the six-membered hydrogen-bonded complex is observed in argon matrices. The calculated anharmonic frequencies of the latter complex are in excellent agreement with experimental data." @default.
- W4254336810 created "2022-05-12" @default.
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- W4254336810 date "2004-05-01" @default.
- W4254336810 modified "2023-09-27" @default.
- W4254336810 title "Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical (H2O2?HO2): the global minimum" @default.
- W4254336810 doi "https://doi.org/10.1016/s0009-2614(04)00662-1" @default.
- W4254336810 hasPublicationYear "2004" @default.
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