Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1000 bar and temperatures up to 500 degrees C: A comprehensive experimental and computational study.

No abstract is available for this paper.

• Publication year

  2006

• Venue

  Journal of Physical Chemistry A

• Publication date

  2006-03-01

• Fields of study

  Medicine, Chemistry, Environmental Science

• Identifiers
  DOI 10.1021/JP0537198PMID 16539427
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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  1988cited by this paper
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  1988cited by this paper
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