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Electronic Structure with Dipole Moment and Rovibrational Calculation of Cadmium Chalcogenide Molecules CdX (X = Se, Te)
[Image: see text] Ab initio calculations of 51 electronic states in the representation (2s+1)Λ((±)) of CdX (X = Se, Te) molecules have been carried out by using the complete active space self-consistent field and multireference configuration interaction (single and double excitations with the Davids...
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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2019
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6648156/ https://ncbi.nlm.nih.gov/pubmed/31459368 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01306 |
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