The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study

Jozef Paulovič; Laura Gagliardi; John M. Dyke; Kimihiko Hirao

doi:10.1063/1.1730034

The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study

Jozef Paulovič, Laura Gagliardi, John M. Dyke, Kimihiko Hirao

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

The chemiionization reaction between samarium and oxygen atoms in gas phase was analyzed using method which allowed correlation and relativistic effects. The potential energy curves were determined for various electronic states of SmO and SmO⁺. The mechanism of Sm+O chemiioization reaction was established from potential curves of SmO and SmO⁺. The potential curves also described position and shape of experimental chemielectron band.

Original language	English (US)
Pages (from-to)	9998-10001
Number of pages	4
Journal	Journal of Chemical Physics
Volume	120
Issue number	21
DOIs	https://doi.org/10.1063/1.1730034
State	Published - Jun 1 2004

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abstract = "The chemiionization reaction between samarium and oxygen atoms in gas phase was analyzed using method which allowed correlation and relativistic effects. The potential energy curves were determined for various electronic states of SmO and SmO+. The mechanism of Sm+O chemiioization reaction was established from potential curves of SmO and SmO+. The potential curves also described position and shape of experimental chemielectron band.",

author = "Jozef Paulovi{\v c} and Laura Gagliardi and Dyke, {John M.} and Kimihiko Hirao",

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AU - Gagliardi, Laura

AU - Dyke, John M.

AU - Hirao, Kimihiko

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AB - The chemiionization reaction between samarium and oxygen atoms in gas phase was analyzed using method which allowed correlation and relativistic effects. The potential energy curves were determined for various electronic states of SmO and SmO+. The mechanism of Sm+O chemiioization reaction was established from potential curves of SmO and SmO+. The potential curves also described position and shape of experimental chemielectron band.

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