Geometric and electronic structure of the aqueous Al(H2O) 63+ complex

Journal of Physical Chemistry A

Volumn 112, Issue 42, 2008, Pages 10595-10603

  Hay, Michael B ^a   Myneni, Satish C B ^b,c  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING ORBITALS; ASYMMETRIC GEOMETRIES; BOND STRENGTHS; BONDING ENVIRONMENTS; BROAD SPECTRUMS; COORDINATION SHELLS; EDGE STRUCTURES; GEOMETRIC DISTORTIONS; HYPOTHETICAL STRUCTURES; LIGAND EXCHANGES; NON UNIFORMS; PRE-REQUISITES; QUANTITATIVE DESCRIPTIONS; REACTION CHEMISTRIES; SOLVATION SHELLS; SPECTRAL INTERPRETATIONS; SYMMETRIC COMPLEXES; WATER LIGANDS; XANES SPECTRUMS;

ABSORPTION SPECTROSCOPY; ACIDS; BOND LENGTH; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LIGANDS; SHELLS (STRUCTURES); SOLVATION; X RAY ANALYSIS;

ALUMINUM;

ALUMINUM DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; SPECTROSCOPY; X RAY;

ALUMINUM COMPOUNDS; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SPECTRUM ANALYSIS; WATER; X-RAYS;

EID: 55649116372     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802675v     Document Type: Article

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