Quantum study of the CH3+ photodissociation in full-dimensional neural network potential energy surfaces

CH3+, a cornerstone intermediate in interstellar chemistry, has recently been detected for the first time by using the James Webb Space Telescope. The photodissociation of this ion is studied here. Accurate explicitly correlated multi-reference configuration interaction ab initio calculations are do...

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Bibliographic Details
Published inThe Journal of chemical physics Vol. 160; no. 18
Main Authors Mazo-Sevillano, Pablo del, Aguado, Alfredo, Goicoechea, Javier R., Roncero, Octavio
Format Journal Article
LanguageEnglish
Published United States 14.05.2024
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