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pubmed-article:16555896pubmed:abstractTextNear edge x-ray absorption spectra at the Na K edge in aqueous NaCl electrolytes are presented as a function of concentration. The spectra are modeled by electronic structure calculations. We find and identify the orbital origin of two spectral fingerprints with sensitivity to the Na+-H2O distance and the Na+-Cl- distance in the electrolyte. Interionic interaction is found to be crucial for the description of the electrolytes at high concentrations.lld:pubmed
pubmed-article:16555896pubmed:languageenglld:pubmed
pubmed-article:16555896pubmed:journalhttp://linkedlifedata.com/r...lld:pubmed
pubmed-article:16555896pubmed:statusPubMed-not-MEDLINElld:pubmed
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pubmed-article:16555896pubmed:issn0021-9606lld:pubmed
pubmed-article:16555896pubmed:authorpubmed-author:FreiwaldMMlld:pubmed
pubmed-article:16555896pubmed:authorpubmed-author:EberhardtWWlld:pubmed
pubmed-article:16555896pubmed:authorpubmed-author:EisebittSSlld:pubmed
pubmed-article:16555896pubmed:authorpubmed-author:AzizEmad FEFlld:pubmed
pubmed-article:16555896pubmed:authorpubmed-author:ZiminaAAlld:pubmed
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pubmed-article:16555896pubmed:volume124lld:pubmed
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pubmed-article:16555896pubmed:pagination114502lld:pubmed
pubmed-article:16555896pubmed:year2006lld:pubmed
pubmed-article:16555896pubmed:articleTitleMolecular and electronic structure in NaCl electrolytes of varying concentration: identification of spectral fingerprints.lld:pubmed
pubmed-article:16555896pubmed:affiliationBESSY mbH., Albert-Einstein-Strasse 15, 12489 Berlin, Germany. emad.aziz@bessy.delld:pubmed
pubmed-article:16555896pubmed:publicationTypeJournal Articlelld:pubmed
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