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- W2005187296 abstract "The structures and stabilities of helionitronium trication NO 2 He 3+ and helionitrosonium trication HeNO 3+ were calculated at the ab initio MP2/6–31G** level. The C s symmetry structure was found to be a minimum for the NO 2 He 3+ trication, which is isoelectronic and isostructural with the previously studied NO 2 H 2+ . Dissociation of the C s symmetry structure into NO + and OHe 2+ is thermodynamically preferred by 183.1 kcal/mol (1 cal = 4.18 J), although a kinetic barrier of 12.4 kcal/mol has to be overcome. The C ∞v symmetry structure was also found to be a minimum for the HeNO 3+ trication." @default.
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- W2005187296 date "1999-03-30" @default.
- W2005187296 modified "2023-09-27" @default.
- W2005187296 title "Helionitronium trication (NO2He3+) and helionitrosonium trication (HeNO3+)" @default.
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- W2005187296 doi "https://doi.org/10.1073/pnas.96.7.3494" @default.
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