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Electronic Structures and Transition Properties of BeSe and BeTe Molecules
[Image: see text] The electronic structure of BeSe and BeTe molecules has been investigated using the ab initio CASSCF/(MRCI + Q) method at the spin-free and spin-orbit level. The potential energy curves, the permanent dipole moment, the spectroscopic constants T(e), R(e), ω(e), and B(e), and the di...
Autores principales: | Zeid, Israa, El-Kork, Nayla, Farjallah, Mohamed, Ladjimi, Hela, Berriche, Hamid, Korek, Mahmoud |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8603188/ https://www.ncbi.nlm.nih.gov/pubmed/34805665 http://dx.doi.org/10.1021/acsomega.1c03170 |
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