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Dihydrogen Binding Affinity of Polyatomic Anions: A DFT Study
[Image: see text] The dihydrogen-binding ability of polyatomic oxohalo anions ClO(–), ClO(2)(–), ClO(3)(–), ClO(4)(–), BrO(–), BrO(2)(–), BrO(3)(–), and BrO(4)(–) has been studied at the M06L/6-311++G(d,p) density functional theory and the CCSD(T)/aug-cc-pVTZ//CCSD/aug-cc-pVDZ ab initio theory. The...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641918/ https://www.ncbi.nlm.nih.gov/pubmed/31457743 http://dx.doi.org/10.1021/acsomega.7b00664 |