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- W4234362265 abstract "The structure, energetics and harmonic vibrations of (O2)2 have been computed at a correlated ab initio level. The lowest potential energy structure found exhibits a linear form; the other two local energy minima belong to C2v (T-shaped) and C2h (rhomboid) symmetries. The stabilization energy for the linear form (4.8 kJ mol−1) is reduced by an estimate of the basis set superposition error of 0.6 kJ mol−1. The study supplies a consistent set of information for dimer stability evaluations." @default.
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- W4234362265 date "1993-10-01" @default.
- W4234362265 modified "2023-10-14" @default.
- W4234362265 title "Computational studies of atmospheric chemistry species" @default.
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- W4234362265 doi "https://doi.org/10.1016/0166-1280(93)87041-b" @default.
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