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Comparative calculation of EPR spectral parameters in [Mo(V)OX(4)](−), [Mo(V)OX(5)](2−), and [Mo(V)OX(4)(H(2)O)](−) complexes
The EPR spectral parameters, i.e. g-tensors and molybdenum hyperfine couplings, for several d(1) systems of the general formula [Mo(V)EX(4)](n)(−), [Mo(V)OX(5)](2−), and [Mo(V)OX(4)(H(2)O)](−) (E = O, N; X = F, Cl, Br; n = 1 or 2) were calculated using Density Functional Theory. The influence of bas...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2879133/ https://ncbi.nlm.nih.gov/pubmed/19890522 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/b905554a |
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