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Structural, Spectroscopic, and Dynamic Properties of [Formula: see text] in Interaction with Krypton Atom

We report a computational study of the potential energy surface (PES) and vibrational bound states for the ground electronic state of [Formula: see text]. The PES was calculated in Jacobi coordinates at the Restricted Coupled Cluster method RCCSD(T) level of calculation and using aug-cc-pVnZ (n = 4...

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Detalles Bibliográficos
Autores principales:	Saidi, Samah, Mabrouk, Nesrine, Dhiflaoui, Jamila, Berriche, Hamid
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10385072/ https://www.ncbi.nlm.nih.gov/pubmed/37513385 http://dx.doi.org/10.3390/molecules28145512

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