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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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Publicado en:Front Chem
Main Authors: Tamukong, Patrick K., Hoffmann, Mark R.
Formato: Artigo
Idioma:Inglês
Publicado: Frontiers Media S.A. 2021
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Acceso en liña: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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