Ions in water: The microscopic structure of concentrated NaOH solutions

Journal of Chemical Physics

Volumn 120, Issue 21, 2004, Pages 10154-10162

  Botti, A ^a   Bruni, F ^a   Imberti, S ^a   Ricci, M A ^a   Soper, A K ^b,c  

^a ROMA TRE UNIVERSITY   (Italy)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; DIELECTRIC RELAXATION; HYDRATION; HYDROGEN BONDS; ISOTOPES; MATHEMATICAL MODELS; NEGATIVE IONS; NEUTRON DIFFRACTION; POSITIVE IONS; SPECTROSCOPIC ANALYSIS; WATER;

CATION SOLVATION SHELLS; HYDROGEN BOND INTERACTIONS; HYDROGEN SITE COORDINATES; WATER IONS;

SODIUM COMPOUNDS;

EID: 2942696389     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1705572     Document Type: Article

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53. -.
54. This coordination number, while consistent within the experimental uncertainty with previous estimate (Ref. 9), has been determined within the EPSR simulation from the recorded configurations, instead of straightforward integration over the g(r) function.