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Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS
Theoretical ab initio quantum mechanical charge field molecular dynamics (QMCF MD) has been applied in conjunction with experimental large angle X-ray scattering (LAXS) and EXAFS measurements to study structure and dynamics of the hydrated oxo chloro anions chlorite, ClO(2)(−), chlorate, ClO(3)(−),...
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| Publicat a: | Dalton Trans |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4281468/ https://ncbi.nlm.nih.gov/pubmed/25473816 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4dt02580f |
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