Structural investigation for the low-lying electronic states with rovibrational calculations of the alkaline-earth fluoride cations XF+ (X = Be, Mg, Ca)
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DOI: 10.1016/j.comptc.2021.113357
Abstract: Abstract Due to the lack of theoretical data about the electronic structure on the molecular cations BeF+, MgF+ and CaF+, an accurate ab initio calculations have been investigated for these molecules using the multi-reference configuration… read more here.
Keywords: fluoride cations; low lying; lying electronic; electronic states ... See more keywords