Local effects in the x-ray absorption spectrum of salt water

Journal of Physical Chemistry B

Volumn 114, Issue 29, 2010, Pages 9594-9601

  Kulik, Heather J ^a   Marzari, Nicola ^a   Correa, Alfredo A ^b   Prendergast, David ^c   Schwegler, Eric ^b   Galli, Giulia ^d  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM; CALCIUM CHLORIDE; HYDROGEN; HYDROGEN BONDS; LIGHT ABSORPTION; MAGNESIUM; MOLECULAR DYNAMICS; MOLECULES; OXYGEN; POSITIVE IONS; SHELLS (STRUCTURES); SODIUM CHLORIDE; SOLVATION; WATER ABSORPTION; X RAY ABSORPTION; X RAYS;

AQUEOUS SOLVATION; CATION COORDINATION; DIVALENT CATION; FIRST-PRINCIPLES; HYDROGEN BONDING NETWORK; HYDROGEN BONDINGS; LOCAL EFFECTS; LONE PAIR; MONOVALENT CATIONS; NACL SOLUTION; ORBITALS; RELATIVE PERTURBATION; SALT WATER; SOLVATION SHELL; SOLVATION SHELL WATER MOLECULES; SPECIFIC EFFECTS; TILT ANGLE; WATER MOLECULE; X-RAY ABSORPTION SPECTRUM;

ABSORPTION SPECTROSCOPY;

EID: 77954946659     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp103526y     Document Type: Article

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