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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
Hlavní autoři: Alkorta, Ibon, Elguero, José, Trujillo, Cristina, Sánchez-Sanz, Goar
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2020
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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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