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Magnetism and multiplets in metal-phthalocyanine molecules
Magnetism and multiplets for metal-phthalocyanine (MPc) molecules with transition-metals (M) of Mn and Co were investigated based on the constraint density functional theory calculations by imposing density matrix constraint on the d-orbital occupation numbers. For the MnPc, the ground state is foun...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3618089/ https://ncbi.nlm.nih.gov/pubmed/23606755 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4795742 |
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