Erratum: ‘‘Ab initio vibrational levels for HO2 and vibrational splittings for hydrogen atom transfer’’ [J. Chem. Phys. 101, 6766 (1994)]
نویسندگان
چکیده
منابع مشابه
Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface.
The complete vibrational spectrum of the HO2(X(2)A' ') radical, up to the H + O2 dissociation limit, has been determined quantum mechanically on an accurate potential energy surface (PES), based on approximately 15000 ab initio points at the icMRCI+Q/aug-cc-pVQZ level of theory. The vibrational states are found to be assignable at low energies but become more irregular as the energy approaches ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1995
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.469478