Výsledky vyhledávání - "Yaman Hamade"

Theoretical study of the electronic structure of mono-bromide of lanthanum molecule including spin-orbit coupling effects

Autor: Yaman Hamade, Fadia Taher, Yehya Haidar, Ahmed Rhallabi

Publikováno v: Journal of Molecular Modeling
Journal of Molecular Modeling, Springer Verlag (Germany), 2019, 25 (8), ⟨10.1007/s00894-019-4114-4⟩

Among the family of lanthanide halides compounds, this work is devoted to the third halogen bromine. The presented lanthanum bromide LaBr molecule has a remarkable scientific interest regarding the other molecules because it presents few experimental

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a737291b2fbf1799d685b8401b64f62
https://hal.archives-ouvertes.fr/hal-02272703

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Theoretical study of the electronic structure of mono-chloride of lanthanum molecule including spin-orbit coupling effect

Autor: Ahmad El Sobbahi, Yaman Hamade

Publikováno v: Journal of Molecular Modeling. 24

Our investigation is devoted to the theoretical study of the low-lying electronic structure of the LaCl molecule by using ab initio quantum methods. We are concerned with several methods such as the complete active space-self consistent field (CAS-SC

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f66358d87da4cec2588aafafd6370b5
https://doi.org/10.1007/s00894-018-3579-x

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