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...

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Detalles Bibliográficos
Autores principales: Della, Therese Davis, Suresh, Cherumuttathu H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
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

Internet

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

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