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Low-Lying Electronic States of the Nickel Dimer

The generalized Van Vleck second order multireference perturbation theory (GVVPT2) method was used to investigate the low-lying electronic states of Ni(2). Because the nickel atom has an excitation energy of only 0.025 eV to its first excited state (the least in the first row of transition elements)...

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Detalhes bibliográficos
Publicado no:Front Chem
Main Authors: Tamukong, Patrick K., Hoffmann, Mark R.
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8155684/
https://ncbi.nlm.nih.gov/pubmed/34055745
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2021.678930
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