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Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study
The geometry, energy and electron density properties of the 1:1, 1:2 and 1:3 complexes between cyclic (Py-M)(3) (M = Au, Ag and Cu) and halide ions (F(−), Cl(−) and Br(−)) were studied using Møller Plesset (MP2) computational methods. Three different configurations were explored. In two of them, the...
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| Vydáno v: | Int J Mol Sci |
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| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
MDPI
2020
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7663457/ https://ncbi.nlm.nih.gov/pubmed/33126636 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms21218036 |
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