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On the Significance of Lone Pair/Lone Pair and Lone Pair/Bond Pair Repulsions in the Cation Affinity and Lewis Acid/Lewis Base Interactions

[Image: see text] Interaction of H(2)O, H(2)S, H(2)Se, NH(3), PH(3), and AsH(3) with cations H(+), CH(3)(+), Cu(+), Al(+), Li(+), Na(+), and K(+) was studied from the energetic and structural viewpoint using B3LYP/6-311++G(d,p) method. The charge transfer from the Lewis bases to the cations reduces...

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Foilsithe in:ACS Omega
Main Authors: Valadbeigi, Younes, Gal, Jean-François
Formáid: Artigo
Teanga:Inglês
Foilsithe: American Chemical Society 2018
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6645108/
https://ncbi.nlm.nih.gov/pubmed/31459241
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01644
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