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Rotational excitation of C(2)(X(1)Σ(g)(+)) by para- and ortho-H(2)

A new four dimensional (4D) potential energy surface for the C(2)(X(1)Σ(g)(+))–H(2) van der Waals system is generated. The potential was obtained from a multi-reference internally contracted configuration-interaction method including the Davidson correction (MRCI+Q). The four atoms were described us...

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Detalles Bibliográficos
Autores principales: Najar, Faouzi, Kalugina, Yulia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050006/
https://www.ncbi.nlm.nih.gov/pubmed/35497826
http://dx.doi.org/10.1039/c9ra10319h

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